3-hydroxy-3-methylcyclopentene-1-carbonitrile

C7H9NO — CID 11252001

IUPAC3-hydroxy-3-methylcyclopentene-1-carbonitrile
SMILESCC1(O)C=C(C#N)CC1
InChIInChI=1S/C7H9NO/c1-7(9)3-2-6(4-7)5-8/h4,9H,2-3H2,1H3
InChIKeyDDCWLNASCOKLRM-UHFFFAOYSA-N
MW123.15 g/mol
LogP0.98
Rot. Bonds

About 3-hydroxy-3-methylcyclopentene-1-carbonitrile

3-hydroxy-3-methylcyclopentene-1-carbonitrile (PubChem CID 11252001) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 3-hydroxy-3-methylcyclopentene-1-carbonitrile.

Molecular Properties

Compound Name3-hydroxy-3-methylcyclopentene-1-carbonitrile
PubChem CID11252001
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name3-hydroxy-3-methylcyclopentene-1-carbonitrile
SMILESCC1(O)C=C(C#N)CC1
InChIInChI=1S/C7H9NO/c1-7(9)3-2-6(4-7)5-8/h4,9H,2-3H2,1H3
InChIKeyDDCWLNASCOKLRM-UHFFFAOYSA-N
XLogP0.98
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-hydroxy-3-methylcyclopentene-1-carbonitrile
CID 12128691
magnesium;(1R)-3-cyano-1-methylcyclopent-2-en-1-olate;chloride
CID 134860160
2-(1-Hydroxycyclopent-2-en-1-yl)acetonitrile
CID 10558647
3-Hydroxy-3-methylcyclohexene-1-carbonitrile
CID 11309541
(3R)-3-hydroxy-3-methylcyclohexene-1-carbonitrile
CID 12128690
3-Hydroxy-3-methylcycloheptene-1-carbonitrile
CID 16742485
(5R)-1-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-ene-1-carbonitrile
CID 53310337
1-Hydroxycyclohex-2-ene-1-carbonitrile
CID 85764318
(3S)-3-hydroxy-3-methylcyclohexene-1-carbonitrile
CID 101196365
3-Hydroxycyclohexene-1,3-dicarbonitrile
CID 164668830

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-methylcyclopentene-1-carbonitrile?
The IUPAC name of 3-hydroxy-3-methylcyclopentene-1-carbonitrile (CID 11252001) is 3-hydroxy-3-methylcyclopentene-1-carbonitrile.
What is the SMILES notation for 3-hydroxy-3-methylcyclopentene-1-carbonitrile?
The canonical SMILES for 3-hydroxy-3-methylcyclopentene-1-carbonitrile is CC1(O)C=C(C#N)CC1.
What is the InChIKey of 3-hydroxy-3-methylcyclopentene-1-carbonitrile?
The InChIKey is DDCWLNASCOKLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-7(9)3-2-6(4-7)5-8/h4,9H,2-3H2,1H3.
What are the key properties of 3-hydroxy-3-methylcyclopentene-1-carbonitrile?
3-hydroxy-3-methylcyclopentene-1-carbonitrile has a molecular weight of 123.15 g/mol, XLogP of 0.98, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-methylcyclopentene-1-carbonitrile is sourced from PubChem (CID 11252001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).