N-formyl-6-methylcyclohex-3-ene-1-carboxamide

C9H13NO2 — CID 170764667

IUPACN-formyl-6-methylcyclohex-3-ene-1-carboxamide
SMILESCC1CC=CCC1C(=O)NC=O
InChIInChI=1S/C9H13NO2/c1-7-4-2-3-5-8(7)9(12)10-6-11/h2-3,6-8H,4-5H2,1H3,(H,10,11,12)
InChIKeyQXVBUMXNWLEHRU-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.86
Rot. Bonds2

About N-formyl-6-methylcyclohex-3-ene-1-carboxamide

N-formyl-6-methylcyclohex-3-ene-1-carboxamide (PubChem CID 170764667) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is N-formyl-6-methylcyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-formyl-6-methylcyclohex-3-ene-1-carboxamide
PubChem CID170764667
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC NameN-formyl-6-methylcyclohex-3-ene-1-carboxamide
SMILESCC1CC=CCC1C(=O)NC=O
InChIInChI=1S/C9H13NO2/c1-7-4-2-3-5-8(7)9(12)10-6-11/h2-3,6-8H,4-5H2,1H3,(H,10,11,12)
InChIKeyQXVBUMXNWLEHRU-UHFFFAOYSA-N
XLogP0.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(E)-4-(6-methylcyclohex-3-ene-1-carbonyl)oxybut-2-enyl] 6-methylcyclohex-3-ene-1-carboxylate
CID 6067572
(6S)-6-formylcyclohex-3-ene-1-carboxylic acid
CID 142182365
methyl (1S,6R)-6-formylcyclohex-3-ene-1-carboxylate
CID 57119350
(2R)-cyclohex-4-ene-1,2-dicarboxylic acid
CID 59116144
(1S,6R)-6-(cyclopropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 40569411
(1S,6S)-6-[(4-methylcyclohexyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 51427698
N-cyclopent-3-en-1-yl-4-methylpyrrolidine-3-carboxamide
CID 115976512
(1R,6S)-6-(ethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 40538429
methyl 5-[[(1R,6R)-6-methylcyclohex-3-ene-1-carbonyl]sulfamoyl]thiophene-2-carboxylate
CID 100645289
3-hydroxypropyl 6-methylcyclohex-3-ene-1-carboxylate
CID 23524861
(3S,4S)-N-cyclopent-3-en-1-yl-4-methylpyrrolidine-3-carboxamide;hydrochloride
CID 131110722
calcium;cyclohex-4-ene-1,2-dicarboxylic acid;hydride
CID 175524215

Frequently Asked Questions

What is the IUPAC name of N-formyl-6-methylcyclohex-3-ene-1-carboxamide?
The IUPAC name of N-formyl-6-methylcyclohex-3-ene-1-carboxamide (CID 170764667) is N-formyl-6-methylcyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-formyl-6-methylcyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-formyl-6-methylcyclohex-3-ene-1-carboxamide is CC1CC=CCC1C(=O)NC=O.
What is the InChIKey of N-formyl-6-methylcyclohex-3-ene-1-carboxamide?
The InChIKey is QXVBUMXNWLEHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-7-4-2-3-5-8(7)9(12)10-6-11/h2-3,6-8H,4-5H2,1H3,(H,10,11,12).
What are the key properties of N-formyl-6-methylcyclohex-3-ene-1-carboxamide?
N-formyl-6-methylcyclohex-3-ene-1-carboxamide has a molecular weight of 167.21 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-6-methylcyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 170764667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).