3-(2-oxotridecyl)pyrrol-2-one

C17H27NO2 — CID 167658414

IUPAC3-(2-oxotridecyl)pyrrol-2-one
SMILESCCCCCCCCCCCC(=O)CC1=CC=NC1=O
InChIInChI=1S/C17H27NO2/c1-2-3-4-5-6-7-8-9-10-11-16(19)14-15-12-13-18-17(15)20/h12-13H,2-11,14H2,1H3
InChIKeyRPICKARJSUAQFY-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.40
Rot. Bonds12

About 3-(2-oxotridecyl)pyrrol-2-one

3-(2-oxotridecyl)pyrrol-2-one (PubChem CID 167658414) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-(2-oxotridecyl)pyrrol-2-one.

Molecular Properties

Compound Name3-(2-oxotridecyl)pyrrol-2-one
PubChem CID167658414
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name3-(2-oxotridecyl)pyrrol-2-one
SMILESCCCCCCCCCCCC(=O)CC1=CC=NC1=O
InChIInChI=1S/C17H27NO2/c1-2-3-4-5-6-7-8-9-10-11-16(19)14-15-12-13-18-17(15)20/h12-13H,2-11,14H2,1H3
InChIKeyRPICKARJSUAQFY-UHFFFAOYSA-N
XLogP4.40
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.40
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

4-Pentylpyridine-2,3-dione
CID 77379890
3-Octylpyrrol-2-one
CID 140967878
3-Pentylpyrrol-2-one
CID 141007598
3-Dodecylazepin-2-one
CID 141035638
3-Hexadecylpyrrol-2-one
CID 150024905
3-Dodecanoylazepin-2-one
CID 153528148
(Z,2E)-N,2-di(ethylidene)octadec-9-enamide
CID 166515126
(Z,2E)-N,2-di(ethylidene)docos-13-enamide
CID 166515127
(2E)-N,2-di(ethylidene)docosanamide
CID 166515128
(2E)-N,2-di(propylidene)octadecanamide
CID 166515129
1-(2-Oxopyrrol-3-yl)heptane-2,4-dione
CID 167557917
3-(2-Oxopentyl)pyrrol-2-one
CID 167567557

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxotridecyl)pyrrol-2-one?
The IUPAC name of 3-(2-oxotridecyl)pyrrol-2-one (CID 167658414) is 3-(2-oxotridecyl)pyrrol-2-one.
What is the SMILES notation for 3-(2-oxotridecyl)pyrrol-2-one?
The canonical SMILES for 3-(2-oxotridecyl)pyrrol-2-one is CCCCCCCCCCCC(=O)CC1=CC=NC1=O.
What is the InChIKey of 3-(2-oxotridecyl)pyrrol-2-one?
The InChIKey is RPICKARJSUAQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-2-3-4-5-6-7-8-9-10-11-16(19)14-15-12-13-18-17(15)20/h12-13H,2-11,14H2,1H3.
What are the key properties of 3-(2-oxotridecyl)pyrrol-2-one?
3-(2-oxotridecyl)pyrrol-2-one has a molecular weight of 277.41 g/mol, XLogP of 4.40, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxotridecyl)pyrrol-2-one is sourced from PubChem (CID 167658414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).