2-(1-hydroxycyclopent-2-en-1-yl)acetonitrile

C7H9NO — CID 10558647

IUPAC2-(1-hydroxycyclopent-2-en-1-yl)acetonitrile
SMILESN#CCC1(O)C=CCC1
InChIInChI=1S/C7H9NO/c8-6-5-7(9)3-1-2-4-7/h1,3,9H,2,4-5H2
InChIKeyKKMJMWOPVSDXKW-UHFFFAOYSA-N
MW123.15 g/mol
LogP0.98
Rot. Bonds1

About 2-(1-hydroxycyclopent-2-en-1-yl)acetonitrile

2-(1-hydroxycyclopent-2-en-1-yl)acetonitrile (PubChem CID 10558647) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 2-(1-hydroxycyclopent-2-en-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(1-hydroxycyclopent-2-en-1-yl)acetonitrile
PubChem CID10558647
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name2-(1-hydroxycyclopent-2-en-1-yl)acetonitrile
SMILESN#CCC1(O)C=CCC1
InChIInChI=1S/C7H9NO/c8-6-5-7(9)3-1-2-4-7/h1,3,9H,2,4-5H2
InChIKeyKKMJMWOPVSDXKW-UHFFFAOYSA-N
XLogP0.98
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-hydroxy-3-methylcyclopentene-1-carbonitrile
CID 12128691
2-(4-Hydroxycyclopent-2-en-1-yl)acetonitrile
CID 14247307
(E)-3-(1-hydroxycyclopentyl)prop-2-enenitrile
CID 58221014
3-(1-Hydroxycyclopentyl)prop-2-enenitrile
CID 68361288
3-(1-Hydroxycyclohexa-2,4-dien-1-yl)propanenitrile
CID 152694229
(E)-3-hydroxy-3-methylnon-6-enenitrile;propane
CID 164540435
(E,3R)-3-hydroxy-3-methylnon-6-enenitrile
CID 170291570
Lithium 1-(cyanomethyl)cyclopent-2-en-1-olate
CID 10558646
(E,2R)-2-ethyl-2-hydroxypent-3-enenitrile
CID 10606743
2-(2-Bromo-1-hydroxycyclopent-2-en-1-yl)acetonitrile
CID 10774452
3-Hydroxy-3-methylcyclopentene-1-carbonitrile
CID 11252001
1-Hydroxycyclohex-2-ene-1-carbonitrile
CID 85764318

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclopent-2-en-1-yl)acetonitrile?
The IUPAC name of 2-(1-hydroxycyclopent-2-en-1-yl)acetonitrile (CID 10558647) is 2-(1-hydroxycyclopent-2-en-1-yl)acetonitrile.
What is the SMILES notation for 2-(1-hydroxycyclopent-2-en-1-yl)acetonitrile?
The canonical SMILES for 2-(1-hydroxycyclopent-2-en-1-yl)acetonitrile is N#CCC1(O)C=CCC1.
What is the InChIKey of 2-(1-hydroxycyclopent-2-en-1-yl)acetonitrile?
The InChIKey is KKMJMWOPVSDXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c8-6-5-7(9)3-1-2-4-7/h1,3,9H,2,4-5H2.
What are the key properties of 2-(1-hydroxycyclopent-2-en-1-yl)acetonitrile?
2-(1-hydroxycyclopent-2-en-1-yl)acetonitrile has a molecular weight of 123.15 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclopent-2-en-1-yl)acetonitrile is sourced from PubChem (CID 10558647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).