4-hydroxycyclohex-3-ene-1-carbonitrile

C7H9NO — CID 88978789

IUPAC4-hydroxycyclohex-3-ene-1-carbonitrile
SMILESN#CC1CC=C(O)CC1
InChIInChI=1S/C7H9NO/c8-5-6-1-3-7(9)4-2-6/h3,6,9H,1-2,4H2
InChIKeySPAMOFGAHDTMIB-UHFFFAOYSA-N
MW123.16 g/mol
LogP1.75
Rot. Bonds

About 4-hydroxycyclohex-3-ene-1-carbonitrile

4-hydroxycyclohex-3-ene-1-carbonitrile (PubChem CID 88978789) has the molecular formula C7H9NO and a molecular weight of 123.16 g/mol. Its IUPAC name is 4-hydroxycyclohex-3-ene-1-carbonitrile.

Molecular Properties

Compound Name4-hydroxycyclohex-3-ene-1-carbonitrile
PubChem CID88978789
Molecular FormulaC7H9NO
Molecular Weight123.16 g/mol
Exact Mass123.07
IUPAC Name4-hydroxycyclohex-3-ene-1-carbonitrile
SMILESN#CC1CC=C(O)CC1
InChIInChI=1S/C7H9NO/c8-5-6-1-3-7(9)4-2-6/h3,6,9H,1-2,4H2
InChIKeySPAMOFGAHDTMIB-UHFFFAOYSA-N
XLogP1.75
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxycyclohex-3-ene-1-carbonitrile?
The IUPAC name of 4-hydroxycyclohex-3-ene-1-carbonitrile (CID 88978789) is 4-hydroxycyclohex-3-ene-1-carbonitrile.
What is the SMILES notation for 4-hydroxycyclohex-3-ene-1-carbonitrile?
The canonical SMILES for 4-hydroxycyclohex-3-ene-1-carbonitrile is N#CC1CC=C(O)CC1.
What is the InChIKey of 4-hydroxycyclohex-3-ene-1-carbonitrile?
The InChIKey is SPAMOFGAHDTMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c8-5-6-1-3-7(9)4-2-6/h3,6,9H,1-2,4H2.
What are the key properties of 4-hydroxycyclohex-3-ene-1-carbonitrile?
4-hydroxycyclohex-3-ene-1-carbonitrile has a molecular weight of 123.16 g/mol, XLogP of 1.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxycyclohex-3-ene-1-carbonitrile is sourced from PubChem (CID 88978789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).