N-(cyclohexylmethylidene)formamide

C8H13NO — CID 58036966

IUPACN-(cyclohexylmethylidene)formamide
SMILESO=C/N=C/C1CCCCC1
InChIInChI=1S/C8H13NO/c10-7-9-6-8-4-2-1-3-5-8/h6-8H,1-5H2/b9-6+
InChIKeyHSRQZCZOVGEFKX-RMKNXTFCSA-N
MW139.20 g/mol
LogP1.79
Rot. Bonds2

About N-(cyclohexylmethylidene)formamide

N-(cyclohexylmethylidene)formamide (PubChem CID 58036966) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is N-(cyclohexylmethylidene)formamide.

Molecular Properties

Compound NameN-(cyclohexylmethylidene)formamide
PubChem CID58036966
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC NameN-(cyclohexylmethylidene)formamide
SMILESO=C/N=C/C1CCCCC1
InChIInChI=1S/C8H13NO/c10-7-9-6-8-4-2-1-3-5-8/h6-8H,1-5H2/b9-6+
InChIKeyHSRQZCZOVGEFKX-RMKNXTFCSA-N
XLogP1.79
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethylidene)formamide?
The IUPAC name of N-(cyclohexylmethylidene)formamide (CID 58036966) is N-(cyclohexylmethylidene)formamide.
What is the SMILES notation for N-(cyclohexylmethylidene)formamide?
The canonical SMILES for N-(cyclohexylmethylidene)formamide is O=C/N=C/C1CCCCC1.
What is the InChIKey of N-(cyclohexylmethylidene)formamide?
The InChIKey is HSRQZCZOVGEFKX-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H13NO/c10-7-9-6-8-4-2-1-3-5-8/h6-8H,1-5H2/b9-6+.
What are the key properties of N-(cyclohexylmethylidene)formamide?
N-(cyclohexylmethylidene)formamide has a molecular weight of 139.20 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethylidene)formamide is sourced from PubChem (CID 58036966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).