N-(2-methylcyclohexa-2,4-dien-1-ylidene)cyclohexanecarboxamide

C14H19NO — CID 70136974

IUPACN-(2-methylcyclohexa-2,4-dien-1-ylidene)cyclohexanecarboxamide
SMILESCC1=CC=CC/C1=N\C(=O)C1CCCCC1
InChIInChI=1S/C14H19NO/c1-11-7-5-6-10-13(11)15-14(16)12-8-3-2-4-9-12/h5-7,12H,2-4,8-10H2,1H3/b15-13+
InChIKeyZZMPZMPDGWOUAV-FYWRMAATSA-N
MW217.31 g/mol
LogP3.44
Rot. Bonds1

About N-(2-methylcyclohexa-2,4-dien-1-ylidene)cyclohexanecarboxamide

N-(2-methylcyclohexa-2,4-dien-1-ylidene)cyclohexanecarboxamide (PubChem CID 70136974) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is N-(2-methylcyclohexa-2,4-dien-1-ylidene)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2-methylcyclohexa-2,4-dien-1-ylidene)cyclohexanecarboxamide
PubChem CID70136974
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC NameN-(2-methylcyclohexa-2,4-dien-1-ylidene)cyclohexanecarboxamide
SMILESCC1=CC=CC/C1=N\C(=O)C1CCCCC1
InChIInChI=1S/C14H19NO/c1-11-7-5-6-10-13(11)15-14(16)12-8-3-2-4-9-12/h5-7,12H,2-4,8-10H2,1H3/b15-13+
InChIKeyZZMPZMPDGWOUAV-FYWRMAATSA-N
XLogP3.44
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.44
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-(2-methylcyclohexa-2,4-dien-1-ylidene)cyclohexanecarboxamide?
The IUPAC name of N-(2-methylcyclohexa-2,4-dien-1-ylidene)cyclohexanecarboxamide (CID 70136974) is N-(2-methylcyclohexa-2,4-dien-1-ylidene)cyclohexanecarboxamide.
What is the SMILES notation for N-(2-methylcyclohexa-2,4-dien-1-ylidene)cyclohexanecarboxamide?
The canonical SMILES for N-(2-methylcyclohexa-2,4-dien-1-ylidene)cyclohexanecarboxamide is CC1=CC=CC/C1=N\C(=O)C1CCCCC1.
What is the InChIKey of N-(2-methylcyclohexa-2,4-dien-1-ylidene)cyclohexanecarboxamide?
The InChIKey is ZZMPZMPDGWOUAV-FYWRMAATSA-N. The full InChI is InChI=1S/C14H19NO/c1-11-7-5-6-10-13(11)15-14(16)12-8-3-2-4-9-12/h5-7,12H,2-4,8-10H2,1H3/b15-13+.
What are the key properties of N-(2-methylcyclohexa-2,4-dien-1-ylidene)cyclohexanecarboxamide?
N-(2-methylcyclohexa-2,4-dien-1-ylidene)cyclohexanecarboxamide has a molecular weight of 217.31 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexa-2,4-dien-1-ylidene)cyclohexanecarboxamide is sourced from PubChem (CID 70136974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).