3-[(1R)-1-methyl-2-oxocyclopentyl]propanenitrile

C9H13NO — CID 124706696

IUPAC3-[(1R)-1-methyl-2-oxocyclopentyl]propanenitrile
SMILESC[C@]1(CCC#N)CCCC1=O
InChIInChI=1S/C9H13NO/c1-9(6-3-7-10)5-2-4-8(9)11/h2-6H2,1H3/t9-/m1/s1
InChIKeyGUBISRXBDPIDEC-SECBINFHSA-N
MW151.21 g/mol
LogP2.05
Rot. Bonds2

About 3-[(1R)-1-methyl-2-oxocyclopentyl]propanenitrile

3-[(1R)-1-methyl-2-oxocyclopentyl]propanenitrile (PubChem CID 124706696) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 3-[(1R)-1-methyl-2-oxocyclopentyl]propanenitrile.

Molecular Properties

Compound Name3-[(1R)-1-methyl-2-oxocyclopentyl]propanenitrile
PubChem CID124706696
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name3-[(1R)-1-methyl-2-oxocyclopentyl]propanenitrile
SMILESC[C@]1(CCC#N)CCCC1=O
InChIInChI=1S/C9H13NO/c1-9(6-3-7-10)5-2-4-8(9)11/h2-6H2,1H3/t9-/m1/s1
InChIKeyGUBISRXBDPIDEC-SECBINFHSA-N
XLogP2.05
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-methyl-2-oxocyclopentyl]propanenitrile?
The IUPAC name of 3-[(1R)-1-methyl-2-oxocyclopentyl]propanenitrile (CID 124706696) is 3-[(1R)-1-methyl-2-oxocyclopentyl]propanenitrile.
What is the SMILES notation for 3-[(1R)-1-methyl-2-oxocyclopentyl]propanenitrile?
The canonical SMILES for 3-[(1R)-1-methyl-2-oxocyclopentyl]propanenitrile is C[C@]1(CCC#N)CCCC1=O.
What is the InChIKey of 3-[(1R)-1-methyl-2-oxocyclopentyl]propanenitrile?
The InChIKey is GUBISRXBDPIDEC-SECBINFHSA-N. The full InChI is InChI=1S/C9H13NO/c1-9(6-3-7-10)5-2-4-8(9)11/h2-6H2,1H3/t9-/m1/s1.
What are the key properties of 3-[(1R)-1-methyl-2-oxocyclopentyl]propanenitrile?
3-[(1R)-1-methyl-2-oxocyclopentyl]propanenitrile has a molecular weight of 151.21 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-methyl-2-oxocyclopentyl]propanenitrile is sourced from PubChem (CID 124706696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).