1-(8-methylpentadecan-8-yl)-2H-pyrrol-5-one

C20H37NO — CID 129028343

IUPAC1-(8-methylpentadecan-8-yl)-2H-pyrrol-5-one
SMILESCCCCCCCC(C)(CCCCCCC)N1CC=CC1=O
InChIInChI=1S/C20H37NO/c1-4-6-8-10-12-16-20(3,17-13-11-9-7-5-2)21-18-14-15-19(21)22/h14-15H,4-13,16-18H2,1-3H3
InChIKeyRNXPZDAWSMYTRJ-UHFFFAOYSA-N
MW307.52 g/mol
LogP5.86
Rot. Bonds13

About 1-(8-methylpentadecan-8-yl)-2H-pyrrol-5-one

1-(8-methylpentadecan-8-yl)-2H-pyrrol-5-one (PubChem CID 129028343) has the molecular formula C20H37NO and a molecular weight of 307.52 g/mol. Its IUPAC name is 1-(8-methylpentadecan-8-yl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(8-methylpentadecan-8-yl)-2H-pyrrol-5-one
PubChem CID129028343
Molecular FormulaC20H37NO
Molecular Weight307.52 g/mol
Exact Mass307.29
IUPAC Name1-(8-methylpentadecan-8-yl)-2H-pyrrol-5-one
SMILESCCCCCCCC(C)(CCCCCCC)N1CC=CC1=O
InChIInChI=1S/C20H37NO/c1-4-6-8-10-12-16-20(3,17-13-11-9-7-5-2)21-18-14-15-19(21)22/h14-15H,4-13,16-18H2,1-3H3
InChIKeyRNXPZDAWSMYTRJ-UHFFFAOYSA-N
XLogP5.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.52
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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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-(8-methylpentadecan-8-yl)-2H-pyrrol-5-one?
The IUPAC name of 1-(8-methylpentadecan-8-yl)-2H-pyrrol-5-one (CID 129028343) is 1-(8-methylpentadecan-8-yl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-(8-methylpentadecan-8-yl)-2H-pyrrol-5-one?
The canonical SMILES for 1-(8-methylpentadecan-8-yl)-2H-pyrrol-5-one is CCCCCCCC(C)(CCCCCCC)N1CC=CC1=O.
What is the InChIKey of 1-(8-methylpentadecan-8-yl)-2H-pyrrol-5-one?
The InChIKey is RNXPZDAWSMYTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO/c1-4-6-8-10-12-16-20(3,17-13-11-9-7-5-2)21-18-14-15-19(21)22/h14-15H,4-13,16-18H2,1-3H3.
What are the key properties of 1-(8-methylpentadecan-8-yl)-2H-pyrrol-5-one?
1-(8-methylpentadecan-8-yl)-2H-pyrrol-5-one has a molecular weight of 307.52 g/mol, XLogP of 5.86, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methylpentadecan-8-yl)-2H-pyrrol-5-one is sourced from PubChem (CID 129028343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).