1-(2-oxopyrrolidin-1-yl)-5-[9-(2-oxopyrrolidin-1-yl)nonan-2-yl]pyrrolidin-3-one

C21H35N3O3 — CID 67749664

IUPAC1-(2-oxopyrrolidin-1-yl)-5-[9-(2-oxopyrrolidin-1-yl)nonan-2-yl]pyrrolidin-3-one
SMILESCC(CCCCCCCN1CCCC1=O)C1CC(=O)CN1N1CCCC1=O
InChIInChI=1S/C21H35N3O3/c1-17(9-5-3-2-4-6-12-22-13-7-10-20(22)26)19-15-18(25)16-24(19)23-14-8-11-21(23)27/h17,19H,2-16H2,1H3
InChIKeyZRMBBWCROJFOBO-UHFFFAOYSA-N
MW377.53 g/mol
LogP2.77
Rot. Bonds10

About 1-(2-oxopyrrolidin-1-yl)-5-[9-(2-oxopyrrolidin-1-yl)nonan-2-yl]pyrrolidin-3-one

1-(2-oxopyrrolidin-1-yl)-5-[9-(2-oxopyrrolidin-1-yl)nonan-2-yl]pyrrolidin-3-one (PubChem CID 67749664) has the molecular formula C21H35N3O3 and a molecular weight of 377.53 g/mol. Its IUPAC name is 1-(2-oxopyrrolidin-1-yl)-5-[9-(2-oxopyrrolidin-1-yl)nonan-2-yl]pyrrolidin-3-one.

Molecular Properties

Compound Name1-(2-oxopyrrolidin-1-yl)-5-[9-(2-oxopyrrolidin-1-yl)nonan-2-yl]pyrrolidin-3-one
PubChem CID67749664
Molecular FormulaC21H35N3O3
Molecular Weight377.53 g/mol
Exact Mass377.27
IUPAC Name1-(2-oxopyrrolidin-1-yl)-5-[9-(2-oxopyrrolidin-1-yl)nonan-2-yl]pyrrolidin-3-one
SMILESCC(CCCCCCCN1CCCC1=O)C1CC(=O)CN1N1CCCC1=O
InChIInChI=1S/C21H35N3O3/c1-17(9-5-3-2-4-6-12-22-13-7-10-20(22)26)19-15-18(25)16-24(19)23-14-8-11-21(23)27/h17,19H,2-16H2,1H3
InChIKeyZRMBBWCROJFOBO-UHFFFAOYSA-N
XLogP2.77
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[6,9,13-tris(2-oxopyrrolidin-1-yl)tridecyl]pyrrolidin-2-one
CID 130207187
1-dodecylpyrrolidin-2-one
CID 70222371
1-hexylpyrrolidin-2-one
CID 158904818
1-(5-hydroxy-4-methylpentyl)pyrrolidin-2-one
CID 106159349
1-(22-hydroxydocosyl)pyrrolidin-2-one
CID 151557638
1-[4-[3-(2-oxopyrrolidin-1-yl)propoxy]butyl]pyrrolidin-2-one
CID 67634239
1-dodecylpyrrolidin-2-one;1-ethylpyrrolidin-2-one;1-methylpyrrolidin-2-one
CID 157493291
1-(3-bromododecyl)azepan-2-one
CID 57126525
1-(2-propan-2-yloxyethyl)pyrrolidin-2-one
CID 58735421
1-(5-hydroxy-4-methylpentyl)piperidin-2-one
CID 106159311
1-(4-sulfanylhexyl)pyrrolidin-2-one
CID 141416613
1-[(3S)-3-(2-oxoazepan-1-yl)butyl]azepan-2-one
CID 139182076

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxopyrrolidin-1-yl)-5-[9-(2-oxopyrrolidin-1-yl)nonan-2-yl]pyrrolidin-3-one?
The IUPAC name of 1-(2-oxopyrrolidin-1-yl)-5-[9-(2-oxopyrrolidin-1-yl)nonan-2-yl]pyrrolidin-3-one (CID 67749664) is 1-(2-oxopyrrolidin-1-yl)-5-[9-(2-oxopyrrolidin-1-yl)nonan-2-yl]pyrrolidin-3-one.
What is the SMILES notation for 1-(2-oxopyrrolidin-1-yl)-5-[9-(2-oxopyrrolidin-1-yl)nonan-2-yl]pyrrolidin-3-one?
The canonical SMILES for 1-(2-oxopyrrolidin-1-yl)-5-[9-(2-oxopyrrolidin-1-yl)nonan-2-yl]pyrrolidin-3-one is CC(CCCCCCCN1CCCC1=O)C1CC(=O)CN1N1CCCC1=O.
What is the InChIKey of 1-(2-oxopyrrolidin-1-yl)-5-[9-(2-oxopyrrolidin-1-yl)nonan-2-yl]pyrrolidin-3-one?
The InChIKey is ZRMBBWCROJFOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O3/c1-17(9-5-3-2-4-6-12-22-13-7-10-20(22)26)19-15-18(25)16-24(19)23-14-8-11-21(23)27/h17,19H,2-16H2,1H3.
What are the key properties of 1-(2-oxopyrrolidin-1-yl)-5-[9-(2-oxopyrrolidin-1-yl)nonan-2-yl]pyrrolidin-3-one?
1-(2-oxopyrrolidin-1-yl)-5-[9-(2-oxopyrrolidin-1-yl)nonan-2-yl]pyrrolidin-3-one has a molecular weight of 377.53 g/mol, XLogP of 2.77, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxopyrrolidin-1-yl)-5-[9-(2-oxopyrrolidin-1-yl)nonan-2-yl]pyrrolidin-3-one is sourced from PubChem (CID 67749664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).