2-(4-hydroxycyclopent-2-en-1-yl)acetonitrile

C7H9NO — CID 14247307

IUPAC2-(4-hydroxycyclopent-2-en-1-yl)acetonitrile
SMILESN#CCC1C=CC(O)C1
InChIInChI=1S/C7H9NO/c8-4-3-6-1-2-7(9)5-6/h1-2,6-7,9H,3,5H2
InChIKeyWMBLPVIBXSJJNY-UHFFFAOYSA-N
MW123.15 g/mol
LogP0.84
Rot. Bonds1

About 2-(4-hydroxycyclopent-2-en-1-yl)acetonitrile

2-(4-hydroxycyclopent-2-en-1-yl)acetonitrile (PubChem CID 14247307) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 2-(4-hydroxycyclopent-2-en-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-hydroxycyclopent-2-en-1-yl)acetonitrile
PubChem CID14247307
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name2-(4-hydroxycyclopent-2-en-1-yl)acetonitrile
SMILESN#CCC1C=CC(O)C1
InChIInChI=1S/C7H9NO/c8-4-3-6-1-2-7(9)5-6/h1-2,6-7,9H,3,5H2
InChIKeyWMBLPVIBXSJJNY-UHFFFAOYSA-N
XLogP0.84
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 ≤ 50.84
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

2-(4-ethylcyclopent-2-en-1-yl)acetonitrile
CID 59796289
4-(hydroxymethyl)cyclopent-2-en-1-ol
CID 14020426
(1R,4R)-4-ethylcyclopent-2-en-1-ol
CID 12026726
4-butylcyclopent-2-en-1-ol
CID 13414982
2-[(1S,6R)-6-hydroxy-4-methylcyclohex-3-en-1-yl]acetonitrile
CID 131002837
1,2,4a,5,6,8a-hexahydronaphthalene-2,6-diol
CID 130125975
2-[(2S,3R,4aR,8aR)-3-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]acetonitrile
CID 130927465
2-[(1S,6R)-6-hydroxy-3-methylcyclohex-3-en-1-yl]acetonitrile
CID 130891738
2-[3,7,8-tris(cyanomethyl)-2-bicyclo[2.2.2]oct-5-enyl]acetonitrile
CID 122418856
2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)acetonitrile
CID 22336667
3-[3-(cyanomethyl)-2-bicyclo[2.2.1]hept-5-enyl]propanenitrile
CID 59748305
actinium;4-methylcyclopent-2-en-1-ol
CID 20708728

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxycyclopent-2-en-1-yl)acetonitrile?
The IUPAC name of 2-(4-hydroxycyclopent-2-en-1-yl)acetonitrile (CID 14247307) is 2-(4-hydroxycyclopent-2-en-1-yl)acetonitrile.
What is the SMILES notation for 2-(4-hydroxycyclopent-2-en-1-yl)acetonitrile?
The canonical SMILES for 2-(4-hydroxycyclopent-2-en-1-yl)acetonitrile is N#CCC1C=CC(O)C1.
What is the InChIKey of 2-(4-hydroxycyclopent-2-en-1-yl)acetonitrile?
The InChIKey is WMBLPVIBXSJJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c8-4-3-6-1-2-7(9)5-6/h1-2,6-7,9H,3,5H2.
What are the key properties of 2-(4-hydroxycyclopent-2-en-1-yl)acetonitrile?
2-(4-hydroxycyclopent-2-en-1-yl)acetonitrile has a molecular weight of 123.15 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxycyclopent-2-en-1-yl)acetonitrile is sourced from PubChem (CID 14247307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).