2-(4,6-dihydroxycyclohex-2-en-1-ylidene)acetonitrile

C8H9NO2 — CID 73200688

IUPAC2-(4,6-dihydroxycyclohex-2-en-1-ylidene)acetonitrile
SMILESN#CC=C1C=CC(O)CC1O
InChIInChI=1S/C8H9NO2/c9-4-3-6-1-2-7(10)5-8(6)11/h1-3,7-8,10-11H,5H2
InChIKeyOKLUWXIZGZHBKD-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.12
Rot. Bonds

About 2-(4,6-dihydroxycyclohex-2-en-1-ylidene)acetonitrile

2-(4,6-dihydroxycyclohex-2-en-1-ylidene)acetonitrile (PubChem CID 73200688) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 2-(4,6-dihydroxycyclohex-2-en-1-ylidene)acetonitrile.

Molecular Properties

Compound Name2-(4,6-dihydroxycyclohex-2-en-1-ylidene)acetonitrile
PubChem CID73200688
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name2-(4,6-dihydroxycyclohex-2-en-1-ylidene)acetonitrile
SMILESN#CC=C1C=CC(O)CC1O
InChIInChI=1S/C8H9NO2/c9-4-3-6-1-2-7(10)5-8(6)11/h1-3,7-8,10-11H,5H2
InChIKeyOKLUWXIZGZHBKD-UHFFFAOYSA-N
XLogP0.12
TPSA64.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dihydroxycyclohex-2-en-1-ylidene)acetonitrile?
The IUPAC name of 2-(4,6-dihydroxycyclohex-2-en-1-ylidene)acetonitrile (CID 73200688) is 2-(4,6-dihydroxycyclohex-2-en-1-ylidene)acetonitrile.
What is the SMILES notation for 2-(4,6-dihydroxycyclohex-2-en-1-ylidene)acetonitrile?
The canonical SMILES for 2-(4,6-dihydroxycyclohex-2-en-1-ylidene)acetonitrile is N#CC=C1C=CC(O)CC1O.
What is the InChIKey of 2-(4,6-dihydroxycyclohex-2-en-1-ylidene)acetonitrile?
The InChIKey is OKLUWXIZGZHBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c9-4-3-6-1-2-7(10)5-8(6)11/h1-3,7-8,10-11H,5H2.
What are the key properties of 2-(4,6-dihydroxycyclohex-2-en-1-ylidene)acetonitrile?
2-(4,6-dihydroxycyclohex-2-en-1-ylidene)acetonitrile has a molecular weight of 151.16 g/mol, XLogP of 0.12, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dihydroxycyclohex-2-en-1-ylidene)acetonitrile is sourced from PubChem (CID 73200688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).