3-methyl-3-pentyl-1-pyrrolidin-1-ylnonan-2-one

C19H37NO — CID 129054004

IUPAC3-methyl-3-pentyl-1-pyrrolidin-1-ylnonan-2-one
SMILESCCCCCCC(C)(CCCCC)C(=O)CN1CCCC1
InChIInChI=1S/C19H37NO/c1-4-6-8-10-14-19(3,13-9-7-5-2)18(21)17-20-15-11-12-16-20/h4-17H2,1-3H3
InChIKeySAIPSIBLKRXTOY-UHFFFAOYSA-N
MW295.51 g/mol
LogP5.21
Rot. Bonds12

About 3-methyl-3-pentyl-1-pyrrolidin-1-ylnonan-2-one

3-methyl-3-pentyl-1-pyrrolidin-1-ylnonan-2-one (PubChem CID 129054004) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is 3-methyl-3-pentyl-1-pyrrolidin-1-ylnonan-2-one.

Molecular Properties

Compound Name3-methyl-3-pentyl-1-pyrrolidin-1-ylnonan-2-one
PubChem CID129054004
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Name3-methyl-3-pentyl-1-pyrrolidin-1-ylnonan-2-one
SMILESCCCCCCC(C)(CCCCC)C(=O)CN1CCCC1
InChIInChI=1S/C19H37NO/c1-4-6-8-10-14-19(3,13-9-7-5-2)18(21)17-20-15-11-12-16-20/h4-17H2,1-3H3
InChIKeySAIPSIBLKRXTOY-UHFFFAOYSA-N
XLogP5.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.51
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylundecan-2-yl)-2-piperidin-1-ylacetamide;hydrochloride
CID 3066165
11,15-didecyl-11,15-dimethylpentacosane-12,14-dione
CID 151089135
N-(2-methylheptan-2-yl)-2-piperidin-1-ylacetamide
CID 3066164
4-hexyl-1-hydroxy-4-methyldecan-3-one
CID 130315803
N-dodecyl-2-pyrrolidin-1-ylacetamide
CID 11971610
2-decyl-2-methylicosanoic acid
CID 174997379
2-hexyl-2-methyldecanoic acid
CID 86051716
2-decyl-2-methyltetradecanoic acid
CID 611890
acetic acid;1-dodecylpyrrolidine
CID 175583827
undecyl 2,2-dimethyl-6-pyrrolidin-1-ylhexanoate
CID 170975773
3-butyl-1-methoxy-3-methyldecan-2-one
CID 170249866
2-methyl-2-pyrrolidin-1-ylundecan-3-one
CID 79056598

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-pentyl-1-pyrrolidin-1-ylnonan-2-one?
The IUPAC name of 3-methyl-3-pentyl-1-pyrrolidin-1-ylnonan-2-one (CID 129054004) is 3-methyl-3-pentyl-1-pyrrolidin-1-ylnonan-2-one.
What is the SMILES notation for 3-methyl-3-pentyl-1-pyrrolidin-1-ylnonan-2-one?
The canonical SMILES for 3-methyl-3-pentyl-1-pyrrolidin-1-ylnonan-2-one is CCCCCCC(C)(CCCCC)C(=O)CN1CCCC1.
What is the InChIKey of 3-methyl-3-pentyl-1-pyrrolidin-1-ylnonan-2-one?
The InChIKey is SAIPSIBLKRXTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-4-6-8-10-14-19(3,13-9-7-5-2)18(21)17-20-15-11-12-16-20/h4-17H2,1-3H3.
What are the key properties of 3-methyl-3-pentyl-1-pyrrolidin-1-ylnonan-2-one?
3-methyl-3-pentyl-1-pyrrolidin-1-ylnonan-2-one has a molecular weight of 295.51 g/mol, XLogP of 5.21, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-pentyl-1-pyrrolidin-1-ylnonan-2-one is sourced from PubChem (CID 129054004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).