N-(cyanomethyl)cyclohexene-1-carboxamide

C9H12N2O — CID 11550059

IUPACN-(cyanomethyl)cyclohexene-1-carboxamide
SMILESN#CCNC(=O)C1=CCCCC1
InChIInChI=1S/C9H12N2O/c10-6-7-11-9(12)8-4-2-1-3-5-8/h4H,1-3,5,7H2,(H,11,12)
InChIKeyZVHMBSSCZBPAIY-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.13
Rot. Bonds2

About N-(cyanomethyl)cyclohexene-1-carboxamide

N-(cyanomethyl)cyclohexene-1-carboxamide (PubChem CID 11550059) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is N-(cyanomethyl)cyclohexene-1-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)cyclohexene-1-carboxamide
PubChem CID11550059
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC NameN-(cyanomethyl)cyclohexene-1-carboxamide
SMILESN#CCNC(=O)C1=CCCCC1
InChIInChI=1S/C9H12N2O/c10-6-7-11-9(12)8-4-2-1-3-5-8/h4H,1-3,5,7H2,(H,11,12)
InChIKeyZVHMBSSCZBPAIY-UHFFFAOYSA-N
XLogP1.13
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 134958228
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CID 130620118
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CID 130666185
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CID 71373515
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CID 10443013
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Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)cyclohexene-1-carboxamide?
The IUPAC name of N-(cyanomethyl)cyclohexene-1-carboxamide (CID 11550059) is N-(cyanomethyl)cyclohexene-1-carboxamide.
What is the SMILES notation for N-(cyanomethyl)cyclohexene-1-carboxamide?
The canonical SMILES for N-(cyanomethyl)cyclohexene-1-carboxamide is N#CCNC(=O)C1=CCCCC1.
What is the InChIKey of N-(cyanomethyl)cyclohexene-1-carboxamide?
The InChIKey is ZVHMBSSCZBPAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c10-6-7-11-9(12)8-4-2-1-3-5-8/h4H,1-3,5,7H2,(H,11,12).
What are the key properties of N-(cyanomethyl)cyclohexene-1-carboxamide?
N-(cyanomethyl)cyclohexene-1-carboxamide has a molecular weight of 164.21 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)cyclohexene-1-carboxamide is sourced from PubChem (CID 11550059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).