1-nonyl-2-oxocyclopentane-1-carbonitrile

C15H25NO — CID 65392753

IUPAC1-nonyl-2-oxocyclopentane-1-carbonitrile
SMILESCCCCCCCCCC1(C#N)CCCC1=O
InChIInChI=1S/C15H25NO/c1-2-3-4-5-6-7-8-11-15(13-16)12-9-10-14(15)17/h2-12H2,1H3
InChIKeyISAGZVDRPXXSBJ-UHFFFAOYSA-N
MW235.37 g/mol
LogP4.39
Rot. Bonds8

About 1-nonyl-2-oxocyclopentane-1-carbonitrile

1-nonyl-2-oxocyclopentane-1-carbonitrile (PubChem CID 65392753) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-nonyl-2-oxocyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-nonyl-2-oxocyclopentane-1-carbonitrile
PubChem CID65392753
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-nonyl-2-oxocyclopentane-1-carbonitrile
SMILESCCCCCCCCCC1(C#N)CCCC1=O
InChIInChI=1S/C15H25NO/c1-2-3-4-5-6-7-8-11-15(13-16)12-9-10-14(15)17/h2-12H2,1H3
InChIKeyISAGZVDRPXXSBJ-UHFFFAOYSA-N
XLogP4.39
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 54.39
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

1-dodecyl-2-oxocyclohexane-1-carbonitrile
CID 65395030
2-oxo-1-(2-propoxyethyl)cyclopentane-1-carbonitrile
CID 106459269
1-octyl-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 65376390
1-butyl-3,3-dimethyl-2-oxocyclohexane-1-carbonitrile
CID 79855839
(2S)-2-decyl-2-methylcyclohexan-1-one
CID 102124069
1-[(E)-3-ethoxyprop-2-enyl]-2-oxocyclopentane-1-carbonitrile
CID 13218021
2-oxo-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexane-1-carbonitrile
CID 65393991
1-(cyclopentylmethyl)-2-oxocyclopentane-1-carbonitrile
CID 65393588
1-(2-methylpropyl)-2-oxocyclohexane-1-carbonitrile
CID 65393163
1-[(E)-3-ethoxyprop-2-enyl]-2-oxocyclohexane-1-carbonitrile
CID 13218038
ethyl 1-octyl-2-oxocyclopentane-1-carboxylate
CID 14921673
1-dodecylcycloheptane-1-carbonitrile
CID 65392089

Frequently Asked Questions

What is the IUPAC name of 1-nonyl-2-oxocyclopentane-1-carbonitrile?
The IUPAC name of 1-nonyl-2-oxocyclopentane-1-carbonitrile (CID 65392753) is 1-nonyl-2-oxocyclopentane-1-carbonitrile.
What is the SMILES notation for 1-nonyl-2-oxocyclopentane-1-carbonitrile?
The canonical SMILES for 1-nonyl-2-oxocyclopentane-1-carbonitrile is CCCCCCCCCC1(C#N)CCCC1=O.
What is the InChIKey of 1-nonyl-2-oxocyclopentane-1-carbonitrile?
The InChIKey is ISAGZVDRPXXSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-2-3-4-5-6-7-8-11-15(13-16)12-9-10-14(15)17/h2-12H2,1H3.
What are the key properties of 1-nonyl-2-oxocyclopentane-1-carbonitrile?
1-nonyl-2-oxocyclopentane-1-carbonitrile has a molecular weight of 235.37 g/mol, XLogP of 4.39, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonyl-2-oxocyclopentane-1-carbonitrile is sourced from PubChem (CID 65392753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).