2-oxo-1-(2-propoxyethyl)cyclopentane-1-carbonitrile

C11H17NO2 — CID 106459269

IUPAC2-oxo-1-(2-propoxyethyl)cyclopentane-1-carbonitrile
SMILESCCCOCCC1(C#N)CCCC1=O
InChIInChI=1S/C11H17NO2/c1-2-7-14-8-6-11(9-12)5-3-4-10(11)13/h2-8H2,1H3
InChIKeyMSSIAPQLQZGNAT-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.07
Rot. Bonds5

About 2-oxo-1-(2-propoxyethyl)cyclopentane-1-carbonitrile

2-oxo-1-(2-propoxyethyl)cyclopentane-1-carbonitrile (PubChem CID 106459269) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-oxo-1-(2-propoxyethyl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-oxo-1-(2-propoxyethyl)cyclopentane-1-carbonitrile
PubChem CID106459269
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-oxo-1-(2-propoxyethyl)cyclopentane-1-carbonitrile
SMILESCCCOCCC1(C#N)CCCC1=O
InChIInChI=1S/C11H17NO2/c1-2-7-14-8-6-11(9-12)5-3-4-10(11)13/h2-8H2,1H3
InChIKeyMSSIAPQLQZGNAT-UHFFFAOYSA-N
XLogP2.07
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-nonyl-2-oxocyclopentane-1-carbonitrile
CID 65392753
1-dodecyl-2-oxocyclohexane-1-carbonitrile
CID 65395030
2-oxo-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexane-1-carbonitrile
CID 65393991
1-[(E)-3-ethoxyprop-2-enyl]-2-oxocyclopentane-1-carbonitrile
CID 13218021
1-[(E)-3-ethoxyprop-2-enyl]-2-oxocyclohexane-1-carbonitrile
CID 13218038
tert-butyl 2-(1-cyano-2-oxocyclopentyl)acetate
CID 170913863
1-(cyclopentylmethyl)-2-oxocyclopentane-1-carbonitrile
CID 65393588
1-(2-methylpropyl)-2-oxocyclohexane-1-carbonitrile
CID 65393163
3,3-dimethyl-2-oxo-1-propylcyclohexane-1-carbonitrile
CID 79855376
2-oxo-1-prop-2-ynylcycloheptane-1-carbonitrile
CID 130031603
1-[2-(2-hydroxyethoxy)ethyl]-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 114277353
1-[(3,5-dimethylphenyl)methyl]-2-oxocyclohexane-1-carbonitrile
CID 65394622

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-(2-propoxyethyl)cyclopentane-1-carbonitrile?
The IUPAC name of 2-oxo-1-(2-propoxyethyl)cyclopentane-1-carbonitrile (CID 106459269) is 2-oxo-1-(2-propoxyethyl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-oxo-1-(2-propoxyethyl)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-oxo-1-(2-propoxyethyl)cyclopentane-1-carbonitrile is CCCOCCC1(C#N)CCCC1=O.
What is the InChIKey of 2-oxo-1-(2-propoxyethyl)cyclopentane-1-carbonitrile?
The InChIKey is MSSIAPQLQZGNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-2-7-14-8-6-11(9-12)5-3-4-10(11)13/h2-8H2,1H3.
What are the key properties of 2-oxo-1-(2-propoxyethyl)cyclopentane-1-carbonitrile?
2-oxo-1-(2-propoxyethyl)cyclopentane-1-carbonitrile has a molecular weight of 195.26 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-(2-propoxyethyl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 106459269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).