1-decylpyrrolidin-2-one;1-dodecylpyrrolidin-2-one;1-heptylpyrrolidin-2-one;1-hexylpyrrolidin-2-one;1-methylazepan-2-one;1-nonylpyrrolidin-2-one;1-octylpyrrolidin-2-one;1-propylazepan-2-one

C92H176N8O8 — CID 173181742

IUPAC1-decylpyrrolidin-2-one;1-dodecylpyrrolidin-2-one;1-heptylpyrrolidin-2-one;1-hexylpyrrolidin-2-one;1-methylazepan-2-one;1-nonylpyrrolidin-2-one;1-octylpyrrolidin-2-one;1-propylazepan-2-one
SMILESCCCCCCCCCCCCN1CCCC1=O.CCCCCCCCCCN1CCCC1=O.CCCCCCCCCN1CCCC1=O.CCCCCCCCN1CCCC1=O.CCCCCCCN1CCCC1=O.CCCCCCN1CCCC1=O.CCCN1CCCCCC1=O.CN1CCCCCC1=O
InChIInChI=1S/C16H31NO.C14H27NO.C13H25NO.C12H23NO.C11H21NO.C10H19NO.C9H17NO.C7H13NO/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16(17)18;1-2-3-4-5-6-7-8-9-12-15-13-10-11-14(15)16;1-2-3-4-5-6-7-8-11-14-12-9-10-13(14)15;1-2-3-4-5-6-7-10-13-11-8-9-12(13)14;1-2-3-4-5-6-9-12-10-7-8-11(12)13;1-2-3-4-5-8-11-9-6-7-10(11)12;1-2-7-10-8-5-3-4-6-9(10)11;1-8-6-4-2-3-5-7(8)9/h2-15H2,1H3;2-13H2,1H3;2-12H2,1H3;2-11H2,1H3;2-10H2,1H3;2-9H2,1H3;2-8H2,1H3;2-6H2,1H3
InChIKeyBSAVCNAWYLDFKJ-UHFFFAOYSA-N
MW1522.47 g/mol
LogP22.19
Rot. Bonds48

About 1-decylpyrrolidin-2-one;1-dodecylpyrrolidin-2-one;1-heptylpyrrolidin-2-one;1-hexylpyrrolidin-2-one;1-methylazepan-2-one;1-nonylpyrrolidin-2-one;1-octylpyrrolidin-2-one;1-propylazepan-2-one

1-decylpyrrolidin-2-one;1-dodecylpyrrolidin-2-one;1-heptylpyrrolidin-2-one;1-hexylpyrrolidin-2-one;1-methylazepan-2-one;1-nonylpyrrolidin-2-one;1-octylpyrrolidin-2-one;1-propylazepan-2-one (PubChem CID 173181742) has the molecular formula C92H176N8O8 and a molecular weight of 1522.47 g/mol. Its IUPAC name is 1-decylpyrrolidin-2-one;1-dodecylpyrrolidin-2-one;1-heptylpyrrolidin-2-one;1-hexylpyrrolidin-2-one;1-methylazepan-2-one;1-nonylpyrrolidin-2-one;1-octylpyrrolidin-2-one;1-propylazepan-2-one.

Molecular Properties

Compound Name1-decylpyrrolidin-2-one;1-dodecylpyrrolidin-2-one;1-heptylpyrrolidin-2-one;1-hexylpyrrolidin-2-one;1-methylazepan-2-one;1-nonylpyrrolidin-2-one;1-octylpyrrolidin-2-one;1-propylazepan-2-one
PubChem CID173181742
Molecular FormulaC92H176N8O8
Molecular Weight1522.47 g/mol
Exact Mass1521.36
IUPAC Name1-decylpyrrolidin-2-one;1-dodecylpyrrolidin-2-one;1-heptylpyrrolidin-2-one;1-hexylpyrrolidin-2-one;1-methylazepan-2-one;1-nonylpyrrolidin-2-one;1-octylpyrrolidin-2-one;1-propylazepan-2-one
SMILESCCCCCCCCCCCCN1CCCC1=O.CCCCCCCCCCN1CCCC1=O.CCCCCCCCCN1CCCC1=O.CCCCCCCCN1CCCC1=O.CCCCCCCN1CCCC1=O.CCCCCCN1CCCC1=O.CCCN1CCCCCC1=O.CN1CCCCCC1=O
InChIInChI=1S/C16H31NO.C14H27NO.C13H25NO.C12H23NO.C11H21NO.C10H19NO.C9H17NO.C7H13NO/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16(17)18;1-2-3-4-5-6-7-8-9-12-15-13-10-11-14(15)16;1-2-3-4-5-6-7-8-11-14-12-9-10-13(14)15;1-2-3-4-5-6-7-10-13-11-8-9-12(13)14;1-2-3-4-5-6-9-12-10-7-8-11(12)13;1-2-3-4-5-8-11-9-6-7-10(11)12;1-2-7-10-8-5-3-4-6-9(10)11;1-8-6-4-2-3-5-7(8)9/h2-15H2,1H3;2-13H2,1H3;2-12H2,1H3;2-11H2,1H3;2-10H2,1H3;2-9H2,1H3;2-8H2,1H3;2-6H2,1H3
InChIKeyBSAVCNAWYLDFKJ-UHFFFAOYSA-N
XLogP22.19
TPSA162.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds48
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001522.47
LogP ≤ 522.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-decylpyrrolidin-2-one;1-dodecylpyrrolidin-2-one;1-heptylpyrrolidin-2-one;1-hexylpyrrolidin-2-one;1-methylazepan-2-one;1-nonylpyrrolidin-2-one;1-octylpyrrolidin-2-one;1-propylazepan-2-one with MolForge

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Related Compounds

1-dodecylpyrrolidin-2-one;1-ethylpyrrolidin-2-one;1-methylpyrrolidin-2-one
CID 157493291
1-dodecylpyrrolidin-2-one
CID 70222371
1-hexylpyrrolidin-2-one
CID 158904818
1-[(E)-octadec-9-enyl]azepan-2-one
CID 22476676
butane-1-sulfonic acid;1-octylpyrrolidin-2-one
CID 174526304
1-(6-bromohexyl)azepan-2-one
CID 71348361
1-(3-bromododecyl)azepan-2-one
CID 57126525
trioctadecyl-[2-(2-oxopyrrolidin-1-yl)ethyl]azanium
CID 67875856
1-decylazepan-2-one;1-dodecylazepan-2-one;ethyl 2-(2-oxoazepan-1-yl)acetate;ethyl 3-(2-oxoazepan-1-yl)propanoate;1-hexylazepan-2-one;1-octylazepan-2-one
CID 158138432
1-(4-hydroxybutyl)azepan-2-one
CID 43509760
1-[3-[4-(2-oxopyrrolidin-1-yl)butoxy]propyl]azepan-2-one
CID 67617639
1-undec-10-enylpiperidin-2-one
CID 23295884

Frequently Asked Questions

What is the IUPAC name of 1-decylpyrrolidin-2-one;1-dodecylpyrrolidin-2-one;1-heptylpyrrolidin-2-one;1-hexylpyrrolidin-2-one;1-methylazepan-2-one;1-nonylpyrrolidin-2-one;1-octylpyrrolidin-2-one;1-propylazepan-2-one?
The IUPAC name of 1-decylpyrrolidin-2-one;1-dodecylpyrrolidin-2-one;1-heptylpyrrolidin-2-one;1-hexylpyrrolidin-2-one;1-methylazepan-2-one;1-nonylpyrrolidin-2-one;1-octylpyrrolidin-2-one;1-propylazepan-2-one (CID 173181742) is 1-decylpyrrolidin-2-one;1-dodecylpyrrolidin-2-one;1-heptylpyrrolidin-2-one;1-hexylpyrrolidin-2-one;1-methylazepan-2-one;1-nonylpyrrolidin-2-one;1-octylpyrrolidin-2-one;1-propylazepan-2-one.
What is the SMILES notation for 1-decylpyrrolidin-2-one;1-dodecylpyrrolidin-2-one;1-heptylpyrrolidin-2-one;1-hexylpyrrolidin-2-one;1-methylazepan-2-one;1-nonylpyrrolidin-2-one;1-octylpyrrolidin-2-one;1-propylazepan-2-one?
The canonical SMILES for 1-decylpyrrolidin-2-one;1-dodecylpyrrolidin-2-one;1-heptylpyrrolidin-2-one;1-hexylpyrrolidin-2-one;1-methylazepan-2-one;1-nonylpyrrolidin-2-one;1-octylpyrrolidin-2-one;1-propylazepan-2-one is CCCCCCCCCCCCN1CCCC1=O.CCCCCCCCCCN1CCCC1=O.CCCCCCCCCN1CCCC1=O.CCCCCCCCN1CCCC1=O.CCCCCCCN1CCCC1=O.CCCCCCN1CCCC1=O.CCCN1CCCCCC1=O.CN1CCCCCC1=O.
What is the InChIKey of 1-decylpyrrolidin-2-one;1-dodecylpyrrolidin-2-one;1-heptylpyrrolidin-2-one;1-hexylpyrrolidin-2-one;1-methylazepan-2-one;1-nonylpyrrolidin-2-one;1-octylpyrrolidin-2-one;1-propylazepan-2-one?
The InChIKey is BSAVCNAWYLDFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO.C14H27NO.C13H25NO.C12H23NO.C11H21NO.C10H19NO.C9H17NO.C7H13NO/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16(17)18;1-2-3-4-5-6-7-8-9-12-15-13-10-11-14(15)16;1-2-3-4-5-6-7-8-11-14-12-9-10-13(14)15;1-2-3-4-5-6-7-10-13-11-8-9-12(13)14;1-2-3-4-5-6-9-12-10-7-8-11(12)13;1-2-3-4-5-8-11-9-6-7-10(11)12;1-2-7-10-8-5-3-4-6-9(10)11;1-8-6-4-2-3-5-7(8)9/h2-15H2,1H3;2-13H2,1H3;2-12H2,1H3;2-11H2,1H3;2-10H2,1H3;2-9H2,1H3;2-8H2,1H3;2-6H2,1H3.
What are the key properties of 1-decylpyrrolidin-2-one;1-dodecylpyrrolidin-2-one;1-heptylpyrrolidin-2-one;1-hexylpyrrolidin-2-one;1-methylazepan-2-one;1-nonylpyrrolidin-2-one;1-octylpyrrolidin-2-one;1-propylazepan-2-one?
1-decylpyrrolidin-2-one;1-dodecylpyrrolidin-2-one;1-heptylpyrrolidin-2-one;1-hexylpyrrolidin-2-one;1-methylazepan-2-one;1-nonylpyrrolidin-2-one;1-octylpyrrolidin-2-one;1-propylazepan-2-one has a molecular weight of 1522.47 g/mol, XLogP of 22.19, 48 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decylpyrrolidin-2-one;1-dodecylpyrrolidin-2-one;1-heptylpyrrolidin-2-one;1-hexylpyrrolidin-2-one;1-methylazepan-2-one;1-nonylpyrrolidin-2-one;1-octylpyrrolidin-2-one;1-propylazepan-2-one is sourced from PubChem (CID 173181742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).