N-ethylidenecyclohexanecarboxamide

C9H15NO — CID 59324659

IUPACN-ethylidenecyclohexanecarboxamide
SMILESC/C=N/C(=O)C1CCCCC1
InChIInChI=1S/C9H15NO/c1-2-10-9(11)8-6-4-3-5-7-8/h2,8H,3-7H2,1H3/b10-2+
InChIKeyMXSGHCKIWUZYDZ-WTDSWWLTSA-N
MW153.23 g/mol
LogP2.18
Rot. Bonds1

About N-ethylidenecyclohexanecarboxamide

N-ethylidenecyclohexanecarboxamide (PubChem CID 59324659) has the molecular formula C9H15NO and a molecular weight of 153.23 g/mol. Its IUPAC name is N-ethylidenecyclohexanecarboxamide.

Molecular Properties

Compound NameN-ethylidenecyclohexanecarboxamide
PubChem CID59324659
Molecular FormulaC9H15NO
Molecular Weight153.23 g/mol
Exact Mass153.12
IUPAC NameN-ethylidenecyclohexanecarboxamide
SMILESC/C=N/C(=O)C1CCCCC1
InChIInChI=1S/C9H15NO/c1-2-10-9(11)8-6-4-3-5-7-8/h2,8H,3-7H2,1H3/b10-2+
InChIKeyMXSGHCKIWUZYDZ-WTDSWWLTSA-N
XLogP2.18
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethylidenecyclohexanecarboxamide?
The IUPAC name of N-ethylidenecyclohexanecarboxamide (CID 59324659) is N-ethylidenecyclohexanecarboxamide.
What is the SMILES notation for N-ethylidenecyclohexanecarboxamide?
The canonical SMILES for N-ethylidenecyclohexanecarboxamide is C/C=N/C(=O)C1CCCCC1.
What is the InChIKey of N-ethylidenecyclohexanecarboxamide?
The InChIKey is MXSGHCKIWUZYDZ-WTDSWWLTSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-10-9(11)8-6-4-3-5-7-8/h2,8H,3-7H2,1H3/b10-2+.
What are the key properties of N-ethylidenecyclohexanecarboxamide?
N-ethylidenecyclohexanecarboxamide has a molecular weight of 153.23 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylidenecyclohexanecarboxamide is sourced from PubChem (CID 59324659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).