1-cyclopentyl-2,2-dimethyl-5-oxopyrrolidine-3-carbonitrile

C12H18N2O — CID 117023149

IUPAC1-cyclopentyl-2,2-dimethyl-5-oxopyrrolidine-3-carbonitrile
SMILESCC1(C)C(C#N)CC(=O)N1C1CCCC1
InChIInChI=1S/C12H18N2O/c1-12(2)9(8-13)7-11(15)14(12)10-5-3-4-6-10/h9-10H,3-7H2,1-2H3
InChIKeyDATDDFNBVXDCAL-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.08
Rot. Bonds1

About 1-cyclopentyl-2,2-dimethyl-5-oxopyrrolidine-3-carbonitrile

1-cyclopentyl-2,2-dimethyl-5-oxopyrrolidine-3-carbonitrile (PubChem CID 117023149) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-cyclopentyl-2,2-dimethyl-5-oxopyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name1-cyclopentyl-2,2-dimethyl-5-oxopyrrolidine-3-carbonitrile
PubChem CID117023149
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-cyclopentyl-2,2-dimethyl-5-oxopyrrolidine-3-carbonitrile
SMILESCC1(C)C(C#N)CC(=O)N1C1CCCC1
InChIInChI=1S/C12H18N2O/c1-12(2)9(8-13)7-11(15)14(12)10-5-3-4-6-10/h9-10H,3-7H2,1-2H3
InChIKeyDATDDFNBVXDCAL-UHFFFAOYSA-N
XLogP2.08
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2,2-dimethyl-5-oxopyrrolidine-3-carbonitrile?
The IUPAC name of 1-cyclopentyl-2,2-dimethyl-5-oxopyrrolidine-3-carbonitrile (CID 117023149) is 1-cyclopentyl-2,2-dimethyl-5-oxopyrrolidine-3-carbonitrile.
What is the SMILES notation for 1-cyclopentyl-2,2-dimethyl-5-oxopyrrolidine-3-carbonitrile?
The canonical SMILES for 1-cyclopentyl-2,2-dimethyl-5-oxopyrrolidine-3-carbonitrile is CC1(C)C(C#N)CC(=O)N1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2,2-dimethyl-5-oxopyrrolidine-3-carbonitrile?
The InChIKey is DATDDFNBVXDCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-12(2)9(8-13)7-11(15)14(12)10-5-3-4-6-10/h9-10H,3-7H2,1-2H3.
What are the key properties of 1-cyclopentyl-2,2-dimethyl-5-oxopyrrolidine-3-carbonitrile?
1-cyclopentyl-2,2-dimethyl-5-oxopyrrolidine-3-carbonitrile has a molecular weight of 206.29 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2,2-dimethyl-5-oxopyrrolidine-3-carbonitrile is sourced from PubChem (CID 117023149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).