(Z)-3-cyclohexyl-2-formylprop-2-enenitrile

C10H13NO — CID 102094213

IUPAC(Z)-3-cyclohexyl-2-formylprop-2-enenitrile
SMILESN#C/C(C=O)=C/C1CCCCC1
InChIInChI=1S/C10H13NO/c11-7-10(8-12)6-9-4-2-1-3-5-9/h6,8-9H,1-5H2/b10-6-
InChIKeyTVYUJMNGRIADCS-POHAHGRESA-N
MW163.22 g/mol
LogP2.22
Rot. Bonds2

About (Z)-3-cyclohexyl-2-formylprop-2-enenitrile

(Z)-3-cyclohexyl-2-formylprop-2-enenitrile (PubChem CID 102094213) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is (Z)-3-cyclohexyl-2-formylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-cyclohexyl-2-formylprop-2-enenitrile
PubChem CID102094213
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name(Z)-3-cyclohexyl-2-formylprop-2-enenitrile
SMILESN#C/C(C=O)=C/C1CCCCC1
InChIInChI=1S/C10H13NO/c11-7-10(8-12)6-9-4-2-1-3-5-9/h6,8-9H,1-5H2/b10-6-
InChIKeyTVYUJMNGRIADCS-POHAHGRESA-N
XLogP2.22
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-cyclohexyl-2-formylprop-2-enenitrile?
The IUPAC name of (Z)-3-cyclohexyl-2-formylprop-2-enenitrile (CID 102094213) is (Z)-3-cyclohexyl-2-formylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-cyclohexyl-2-formylprop-2-enenitrile?
The canonical SMILES for (Z)-3-cyclohexyl-2-formylprop-2-enenitrile is N#C/C(C=O)=C/C1CCCCC1.
What is the InChIKey of (Z)-3-cyclohexyl-2-formylprop-2-enenitrile?
The InChIKey is TVYUJMNGRIADCS-POHAHGRESA-N. The full InChI is InChI=1S/C10H13NO/c11-7-10(8-12)6-9-4-2-1-3-5-9/h6,8-9H,1-5H2/b10-6-.
What are the key properties of (Z)-3-cyclohexyl-2-formylprop-2-enenitrile?
(Z)-3-cyclohexyl-2-formylprop-2-enenitrile has a molecular weight of 163.22 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-cyclohexyl-2-formylprop-2-enenitrile is sourced from PubChem (CID 102094213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).