1-(2-methylpyrrolidin-1-yl)non-8-en-1-one

C14H25NO — CID 143897722

IUPAC1-(2-methylpyrrolidin-1-yl)non-8-en-1-one
SMILESC=CCCCCCCC(=O)N1CCCC1C
InChIInChI=1S/C14H25NO/c1-3-4-5-6-7-8-11-14(16)15-12-9-10-13(15)2/h3,13H,1,4-12H2,2H3
InChIKeyZTSHDXCJABYEJF-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.52
Rot. Bonds7

About 1-(2-methylpyrrolidin-1-yl)non-8-en-1-one

1-(2-methylpyrrolidin-1-yl)non-8-en-1-one (PubChem CID 143897722) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-(2-methylpyrrolidin-1-yl)non-8-en-1-one.

Molecular Properties

Compound Name1-(2-methylpyrrolidin-1-yl)non-8-en-1-one
PubChem CID143897722
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-(2-methylpyrrolidin-1-yl)non-8-en-1-one
SMILESC=CCCCCCCC(=O)N1CCCC1C
InChIInChI=1S/C14H25NO/c1-3-4-5-6-7-8-11-14(16)15-12-9-10-13(15)2/h3,13H,1,4-12H2,2H3
InChIKeyZTSHDXCJABYEJF-UHFFFAOYSA-N
XLogP3.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-Decenamide, N,N-dimethyl-
CID 17825184
Pyrrolidine, 1-(1-oxo-9-octadecenyl)-, (Z)-
CID 5370392
(Z)-N-methyl-N-propan-2-yloctadec-9-enamide
CID 44270372
Pyrrolidine Linoleamide
CID 46934879
N-octadec-9-enoylpyrrolidine
CID 574882
2-Ethyl-1-undec-10-enoyl-piperidine
CID 44890638
n,n-Dimethylundec-10-enamide
CID 250528
2-Fluoro-1-(pyrrolidin-1-yl)undec-10-en-1-one
CID 135391117
1-(Pyrrolidin-1-yl)octadeca-9,12-dien-1-one
CID 71588898
1-(1-Oxo-9,12,15-octadecatrienyl)pyrrolidine
CID 574893
N-11-Octadecenoylpyrrolidine
CID 5370397
1,7,8,8a-Tetrahydroindolizin-3(2H)-one
CID 12710059

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrrolidin-1-yl)non-8-en-1-one?
The IUPAC name of 1-(2-methylpyrrolidin-1-yl)non-8-en-1-one (CID 143897722) is 1-(2-methylpyrrolidin-1-yl)non-8-en-1-one.
What is the SMILES notation for 1-(2-methylpyrrolidin-1-yl)non-8-en-1-one?
The canonical SMILES for 1-(2-methylpyrrolidin-1-yl)non-8-en-1-one is C=CCCCCCCC(=O)N1CCCC1C.
What is the InChIKey of 1-(2-methylpyrrolidin-1-yl)non-8-en-1-one?
The InChIKey is ZTSHDXCJABYEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-3-4-5-6-7-8-11-14(16)15-12-9-10-13(15)2/h3,13H,1,4-12H2,2H3.
What are the key properties of 1-(2-methylpyrrolidin-1-yl)non-8-en-1-one?
1-(2-methylpyrrolidin-1-yl)non-8-en-1-one has a molecular weight of 223.36 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrrolidin-1-yl)non-8-en-1-one is sourced from PubChem (CID 143897722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).