2-(1-hydroxypropyl)cyclopentane-1-carbonitrile

C9H15NO — CID 130150534

IUPAC2-(1-hydroxypropyl)cyclopentane-1-carbonitrile
SMILESCCC(O)C1CCCC1C#N
InChIInChI=1S/C9H15NO/c1-2-9(11)8-5-3-4-7(8)6-10/h7-9,11H,2-5H2,1H3
InChIKeyPIBLRPQJPLQVRN-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.70
Rot. Bonds2

About 2-(1-hydroxypropyl)cyclopentane-1-carbonitrile

2-(1-hydroxypropyl)cyclopentane-1-carbonitrile (PubChem CID 130150534) has the molecular formula C9H15NO and a molecular weight of 153.23 g/mol. Its IUPAC name is 2-(1-hydroxypropyl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-(1-hydroxypropyl)cyclopentane-1-carbonitrile
PubChem CID130150534
Molecular FormulaC9H15NO
Molecular Weight153.23 g/mol
Exact Mass153.12
IUPAC Name2-(1-hydroxypropyl)cyclopentane-1-carbonitrile
SMILESCCC(O)C1CCCC1C#N
InChIInChI=1S/C9H15NO/c1-2-9(11)8-5-3-4-7(8)6-10/h7-9,11H,2-5H2,1H3
InChIKeyPIBLRPQJPLQVRN-UHFFFAOYSA-N
XLogP1.70
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxypropyl)cyclopentane-1-carbonitrile?
The IUPAC name of 2-(1-hydroxypropyl)cyclopentane-1-carbonitrile (CID 130150534) is 2-(1-hydroxypropyl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-(1-hydroxypropyl)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-(1-hydroxypropyl)cyclopentane-1-carbonitrile is CCC(O)C1CCCC1C#N.
What is the InChIKey of 2-(1-hydroxypropyl)cyclopentane-1-carbonitrile?
The InChIKey is PIBLRPQJPLQVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-9(11)8-5-3-4-7(8)6-10/h7-9,11H,2-5H2,1H3.
What are the key properties of 2-(1-hydroxypropyl)cyclopentane-1-carbonitrile?
2-(1-hydroxypropyl)cyclopentane-1-carbonitrile has a molecular weight of 153.23 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxypropyl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 130150534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).