1-pyrrolidin-1-yldodec-11-en-1-one

C16H29NO — CID 14607954

IUPAC1-pyrrolidin-1-yldodec-11-en-1-one
SMILESC=CCCCCCCCCCC(=O)N1CCCC1
InChIInChI=1S/C16H29NO/c1-2-3-4-5-6-7-8-9-10-13-16(18)17-14-11-12-15-17/h2H,1,3-15H2
InChIKeyPKKFVNGGBRXWQR-UHFFFAOYSA-N
MW251.41 g/mol
LogP4.31
Rot. Bonds10

About 1-pyrrolidin-1-yldodec-11-en-1-one

1-pyrrolidin-1-yldodec-11-en-1-one (PubChem CID 14607954) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 1-pyrrolidin-1-yldodec-11-en-1-one.

Molecular Properties

Compound Name1-pyrrolidin-1-yldodec-11-en-1-one
PubChem CID14607954
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name1-pyrrolidin-1-yldodec-11-en-1-one
SMILESC=CCCCCCCCCCC(=O)N1CCCC1
InChIInChI=1S/C16H29NO/c1-2-3-4-5-6-7-8-9-10-13-16(18)17-14-11-12-15-17/h2H,1,3-15H2
InChIKeyPKKFVNGGBRXWQR-UHFFFAOYSA-N
XLogP4.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 54.31
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
9-Octadecenamide, N,N-dibutyl-, (9Z)-
CID 6436342
Pyrrolidine, 1-(1-oxo-9-octadecenyl)-, (Z)-
CID 5370392
(Z)-N,N-Diethyl-9-octadecenamide
CID 6197971
N,N-dipropyloleamide
CID 44270317
Pyrrolidine Linoleamide
CID 46934879
N-octadec-9-enoylpyrrolidine
CID 574882
n,n-Dimethylundec-10-enamide
CID 250528
9-Octadecenamide, N,N-dipropyl-
CID 551623
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

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yldodec-11-en-1-one?
The IUPAC name of 1-pyrrolidin-1-yldodec-11-en-1-one (CID 14607954) is 1-pyrrolidin-1-yldodec-11-en-1-one.
What is the SMILES notation for 1-pyrrolidin-1-yldodec-11-en-1-one?
The canonical SMILES for 1-pyrrolidin-1-yldodec-11-en-1-one is C=CCCCCCCCCCC(=O)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yldodec-11-en-1-one?
The InChIKey is PKKFVNGGBRXWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-2-3-4-5-6-7-8-9-10-13-16(18)17-14-11-12-15-17/h2H,1,3-15H2.
What are the key properties of 1-pyrrolidin-1-yldodec-11-en-1-one?
1-pyrrolidin-1-yldodec-11-en-1-one has a molecular weight of 251.41 g/mol, XLogP of 4.31, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yldodec-11-en-1-one is sourced from PubChem (CID 14607954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).