1-(7-methyltetradecan-7-yl)-2H-pyrrol-5-one

C19H35NO — CID 129028201

IUPAC1-(7-methyltetradecan-7-yl)-2H-pyrrol-5-one
SMILESCCCCCCCC(C)(CCCCCC)N1CC=CC1=O
InChIInChI=1S/C19H35NO/c1-4-6-8-10-12-16-19(3,15-11-9-7-5-2)20-17-13-14-18(20)21/h13-14H,4-12,15-17H2,1-3H3
InChIKeyXWJXQUBZZUSXQB-UHFFFAOYSA-N
MW293.50 g/mol
LogP5.47
Rot. Bonds12

About 1-(7-methyltetradecan-7-yl)-2H-pyrrol-5-one

1-(7-methyltetradecan-7-yl)-2H-pyrrol-5-one (PubChem CID 129028201) has the molecular formula C19H35NO and a molecular weight of 293.50 g/mol. Its IUPAC name is 1-(7-methyltetradecan-7-yl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(7-methyltetradecan-7-yl)-2H-pyrrol-5-one
PubChem CID129028201
Molecular FormulaC19H35NO
Molecular Weight293.50 g/mol
Exact Mass293.27
IUPAC Name1-(7-methyltetradecan-7-yl)-2H-pyrrol-5-one
SMILESCCCCCCCC(C)(CCCCCC)N1CC=CC1=O
InChIInChI=1S/C19H35NO/c1-4-6-8-10-12-16-19(3,15-11-9-7-5-2)20-17-13-14-18(20)21/h13-14H,4-12,15-17H2,1-3H3
InChIKeyXWJXQUBZZUSXQB-UHFFFAOYSA-N
XLogP5.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.50
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(7-methyltetradecan-7-yl)-2H-pyrrol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-decyltetradecyl)-maleimide
CID 129839852
N,N-bis(11-methyldodecyl)prop-2-enamide
CID 14475775
N,N,N',N'-tetrakis(11-methyldodecyl)but-2-enediamide
CID 53714259
1-[6-(2,5-Dioxopyrrol-1-yl)-6-methylheptyl]pyrrole-2,5-dione
CID 54225020
N,N-dioctylbut-2-enamide
CID 54431565
N-(6-methylheptyl)-N-octylprop-2-enamide
CID 57264060
1-[9-(2,5-Dioxopyrrol-1-yl)-4,6-dipropylnonyl]pyrrole-2,5-dione
CID 59342848
1-(2-Methylpentadecyl)pyrrole-2,5-dione
CID 68027255
1-(4-Methyldodecyl)pyrrole-2,5-dione
CID 70003100
1-(8-Methylnonyl)pyrrole-2,5-dione
CID 70834474
(Z)-N,N,N',N'-tetrakis(11-methyldodecyl)but-2-enediamide
CID 87787936
(E)-N-(3-ethyl-6-iodo-3-methyloctyl)-N-methylbut-2-enamide
CID 88928239

Frequently Asked Questions

What is the IUPAC name of 1-(7-methyltetradecan-7-yl)-2H-pyrrol-5-one?
The IUPAC name of 1-(7-methyltetradecan-7-yl)-2H-pyrrol-5-one (CID 129028201) is 1-(7-methyltetradecan-7-yl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-(7-methyltetradecan-7-yl)-2H-pyrrol-5-one?
The canonical SMILES for 1-(7-methyltetradecan-7-yl)-2H-pyrrol-5-one is CCCCCCCC(C)(CCCCCC)N1CC=CC1=O.
What is the InChIKey of 1-(7-methyltetradecan-7-yl)-2H-pyrrol-5-one?
The InChIKey is XWJXQUBZZUSXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO/c1-4-6-8-10-12-16-19(3,15-11-9-7-5-2)20-17-13-14-18(20)21/h13-14H,4-12,15-17H2,1-3H3.
What are the key properties of 1-(7-methyltetradecan-7-yl)-2H-pyrrol-5-one?
1-(7-methyltetradecan-7-yl)-2H-pyrrol-5-one has a molecular weight of 293.50 g/mol, XLogP of 5.47, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyltetradecan-7-yl)-2H-pyrrol-5-one is sourced from PubChem (CID 129028201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).