1-cyano-2-cyclohex-2-en-1-yl-N-propan-2-ylcycloprop-2-ene-1-carboxamide

C14H18N2O — CID 71237227

IUPAC1-cyano-2-cyclohex-2-en-1-yl-N-propan-2-ylcycloprop-2-ene-1-carboxamide
SMILESCC(C)NC(=O)C1(C#N)C=C1C1C=CCCC1
InChIInChI=1S/C14H18N2O/c1-10(2)16-13(17)14(9-15)8-12(14)11-6-4-3-5-7-11/h4,6,8,10-11H,3,5,7H2,1-2H3,(H,16,17)
InChIKeyKVHFLSITIGWVCX-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.32
Rot. Bonds3

About 1-cyano-2-cyclohex-2-en-1-yl-N-propan-2-ylcycloprop-2-ene-1-carboxamide

1-cyano-2-cyclohex-2-en-1-yl-N-propan-2-ylcycloprop-2-ene-1-carboxamide (PubChem CID 71237227) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-cyano-2-cyclohex-2-en-1-yl-N-propan-2-ylcycloprop-2-ene-1-carboxamide.

Molecular Properties

Compound Name1-cyano-2-cyclohex-2-en-1-yl-N-propan-2-ylcycloprop-2-ene-1-carboxamide
PubChem CID71237227
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-cyano-2-cyclohex-2-en-1-yl-N-propan-2-ylcycloprop-2-ene-1-carboxamide
SMILESCC(C)NC(=O)C1(C#N)C=C1C1C=CCCC1
InChIInChI=1S/C14H18N2O/c1-10(2)16-13(17)14(9-15)8-12(14)11-6-4-3-5-7-11/h4,6,8,10-11H,3,5,7H2,1-2H3,(H,16,17)
InChIKeyKVHFLSITIGWVCX-UHFFFAOYSA-N
XLogP2.32
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-2-cyclohex-2-en-1-yl-N-propan-2-ylcycloprop-2-ene-1-carboxamide?
The IUPAC name of 1-cyano-2-cyclohex-2-en-1-yl-N-propan-2-ylcycloprop-2-ene-1-carboxamide (CID 71237227) is 1-cyano-2-cyclohex-2-en-1-yl-N-propan-2-ylcycloprop-2-ene-1-carboxamide.
What is the SMILES notation for 1-cyano-2-cyclohex-2-en-1-yl-N-propan-2-ylcycloprop-2-ene-1-carboxamide?
The canonical SMILES for 1-cyano-2-cyclohex-2-en-1-yl-N-propan-2-ylcycloprop-2-ene-1-carboxamide is CC(C)NC(=O)C1(C#N)C=C1C1C=CCCC1.
What is the InChIKey of 1-cyano-2-cyclohex-2-en-1-yl-N-propan-2-ylcycloprop-2-ene-1-carboxamide?
The InChIKey is KVHFLSITIGWVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10(2)16-13(17)14(9-15)8-12(14)11-6-4-3-5-7-11/h4,6,8,10-11H,3,5,7H2,1-2H3,(H,16,17).
What are the key properties of 1-cyano-2-cyclohex-2-en-1-yl-N-propan-2-ylcycloprop-2-ene-1-carboxamide?
1-cyano-2-cyclohex-2-en-1-yl-N-propan-2-ylcycloprop-2-ene-1-carboxamide has a molecular weight of 230.31 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-2-cyclohex-2-en-1-yl-N-propan-2-ylcycloprop-2-ene-1-carboxamide is sourced from PubChem (CID 71237227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).