2-cyano-N-[(E)-(2-methylcyclohexylidene)amino]acetamide

C10H15N3O — CID 6023567

IUPAC2-cyano-N-[(E)-(2-methylcyclohexylidene)amino]acetamide
SMILESCC1CCCC/C1=N\NC(=O)CC#N
InChIInChI=1S/C10H15N3O/c1-8-4-2-3-5-9(8)12-13-10(14)6-7-11/h8H,2-6H2,1H3,(H,13,14)/b12-9+
InChIKeyCBGKMYKBSRGXEK-FMIVXFBMSA-N
MW193.25 g/mol
LogP1.58
Rot. Bonds2

About 2-cyano-N-[(E)-(2-methylcyclohexylidene)amino]acetamide

2-cyano-N-[(E)-(2-methylcyclohexylidene)amino]acetamide (PubChem CID 6023567) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-cyano-N-[(E)-(2-methylcyclohexylidene)amino]acetamide.

Molecular Properties

Compound Name2-cyano-N-[(E)-(2-methylcyclohexylidene)amino]acetamide
PubChem CID6023567
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name2-cyano-N-[(E)-(2-methylcyclohexylidene)amino]acetamide
SMILESCC1CCCC/C1=N\NC(=O)CC#N
InChIInChI=1S/C10H15N3O/c1-8-4-2-3-5-9(8)12-13-10(14)6-7-11/h8H,2-6H2,1H3,(H,13,14)/b12-9+
InChIKeyCBGKMYKBSRGXEK-FMIVXFBMSA-N
XLogP1.58
TPSA65.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(E)-(2-methylcyclohexylidene)amino]acetamide?
The IUPAC name of 2-cyano-N-[(E)-(2-methylcyclohexylidene)amino]acetamide (CID 6023567) is 2-cyano-N-[(E)-(2-methylcyclohexylidene)amino]acetamide.
What is the SMILES notation for 2-cyano-N-[(E)-(2-methylcyclohexylidene)amino]acetamide?
The canonical SMILES for 2-cyano-N-[(E)-(2-methylcyclohexylidene)amino]acetamide is CC1CCCC/C1=N\NC(=O)CC#N.
What is the InChIKey of 2-cyano-N-[(E)-(2-methylcyclohexylidene)amino]acetamide?
The InChIKey is CBGKMYKBSRGXEK-FMIVXFBMSA-N. The full InChI is InChI=1S/C10H15N3O/c1-8-4-2-3-5-9(8)12-13-10(14)6-7-11/h8H,2-6H2,1H3,(H,13,14)/b12-9+.
What are the key properties of 2-cyano-N-[(E)-(2-methylcyclohexylidene)amino]acetamide?
2-cyano-N-[(E)-(2-methylcyclohexylidene)amino]acetamide has a molecular weight of 193.25 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(E)-(2-methylcyclohexylidene)amino]acetamide is sourced from PubChem (CID 6023567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).