5-hydroxycyclopentene-1-carbonitrile

C6H7NO — CID 11643926

IUPAC5-hydroxycyclopentene-1-carbonitrile
SMILESN#CC1=CCCC1O
InChIInChI=1S/C6H7NO/c7-4-5-2-1-3-6(5)8/h2,6,8H,1,3H2
InChIKeyXYODDUAFKAHJBC-UHFFFAOYSA-N
MW109.13 g/mol
LogP0.59
Rot. Bonds

About 5-hydroxycyclopentene-1-carbonitrile

5-hydroxycyclopentene-1-carbonitrile (PubChem CID 11643926) has the molecular formula C6H7NO and a molecular weight of 109.13 g/mol. Its IUPAC name is 5-hydroxycyclopentene-1-carbonitrile.

Molecular Properties

Compound Name5-hydroxycyclopentene-1-carbonitrile
PubChem CID11643926
Molecular FormulaC6H7NO
Molecular Weight109.13 g/mol
Exact Mass109.05
IUPAC Name5-hydroxycyclopentene-1-carbonitrile
SMILESN#CC1=CCCC1O
InChIInChI=1S/C6H7NO/c7-4-5-2-1-3-6(5)8/h2,6,8H,1,3H2
InChIKeyXYODDUAFKAHJBC-UHFFFAOYSA-N
XLogP0.59
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxycyclopentene-1-carbonitrile?
The IUPAC name of 5-hydroxycyclopentene-1-carbonitrile (CID 11643926) is 5-hydroxycyclopentene-1-carbonitrile.
What is the SMILES notation for 5-hydroxycyclopentene-1-carbonitrile?
The canonical SMILES for 5-hydroxycyclopentene-1-carbonitrile is N#CC1=CCCC1O.
What is the InChIKey of 5-hydroxycyclopentene-1-carbonitrile?
The InChIKey is XYODDUAFKAHJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO/c7-4-5-2-1-3-6(5)8/h2,6,8H,1,3H2.
What are the key properties of 5-hydroxycyclopentene-1-carbonitrile?
5-hydroxycyclopentene-1-carbonitrile has a molecular weight of 109.13 g/mol, XLogP of 0.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxycyclopentene-1-carbonitrile is sourced from PubChem (CID 11643926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).