4-(4-formylcyclohexen-1-yl)-N-methylbenzamide

C15H17NO2 — CID 144541584

IUPAC4-(4-formylcyclohexen-1-yl)-N-methylbenzamide
SMILESCNC(=O)c1ccc(C2=CCC(C=O)CC2)cc1
InChIInChI=1S/C15H17NO2/c1-16-15(18)14-8-6-13(7-9-14)12-4-2-11(10-17)3-5-12/h4,6-11H,2-3,5H2,1H3,(H,16,18)
InChIKeyXKICLZHCATXDFR-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.43
Rot. Bonds3

About 4-(4-formylcyclohexen-1-yl)-N-methylbenzamide

4-(4-formylcyclohexen-1-yl)-N-methylbenzamide (PubChem CID 144541584) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-(4-formylcyclohexen-1-yl)-N-methylbenzamide.

Molecular Properties

Compound Name4-(4-formylcyclohexen-1-yl)-N-methylbenzamide
PubChem CID144541584
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name4-(4-formylcyclohexen-1-yl)-N-methylbenzamide
SMILESCNC(=O)c1ccc(C2=CCC(C=O)CC2)cc1
InChIInChI=1S/C15H17NO2/c1-16-15(18)14-8-6-13(7-9-14)12-4-2-11(10-17)3-5-12/h4,6-11H,2-3,5H2,1H3,(H,16,18)
InChIKeyXKICLZHCATXDFR-UHFFFAOYSA-N
XLogP2.43
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-formylcyclohexen-1-yl)-N-methylbenzamide?
The IUPAC name of 4-(4-formylcyclohexen-1-yl)-N-methylbenzamide (CID 144541584) is 4-(4-formylcyclohexen-1-yl)-N-methylbenzamide.
What is the SMILES notation for 4-(4-formylcyclohexen-1-yl)-N-methylbenzamide?
The canonical SMILES for 4-(4-formylcyclohexen-1-yl)-N-methylbenzamide is CNC(=O)c1ccc(C2=CCC(C=O)CC2)cc1.
What is the InChIKey of 4-(4-formylcyclohexen-1-yl)-N-methylbenzamide?
The InChIKey is XKICLZHCATXDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-16-15(18)14-8-6-13(7-9-14)12-4-2-11(10-17)3-5-12/h4,6-11H,2-3,5H2,1H3,(H,16,18).
What are the key properties of 4-(4-formylcyclohexen-1-yl)-N-methylbenzamide?
4-(4-formylcyclohexen-1-yl)-N-methylbenzamide has a molecular weight of 243.31 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-formylcyclohexen-1-yl)-N-methylbenzamide is sourced from PubChem (CID 144541584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).