4-[(2-methylidene-5-oxopyrrolidin-1-yl)methyl]cyclohexane-1-carbaldehyde

C13H19NO2 — CID 178031963

IUPAC4-[(2-methylidene-5-oxopyrrolidin-1-yl)methyl]cyclohexane-1-carbaldehyde
SMILESC=C1CCC(=O)N1CC1CCC(C=O)CC1
InChIInChI=1S/C13H19NO2/c1-10-2-7-13(16)14(10)8-11-3-5-12(9-15)6-4-11/h9,11-12H,1-8H2
InChIKeyBSNSPHUJCNOCGS-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.13
Rot. Bonds3

About 4-[(2-methylidene-5-oxopyrrolidin-1-yl)methyl]cyclohexane-1-carbaldehyde

4-[(2-methylidene-5-oxopyrrolidin-1-yl)methyl]cyclohexane-1-carbaldehyde (PubChem CID 178031963) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-[(2-methylidene-5-oxopyrrolidin-1-yl)methyl]cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name4-[(2-methylidene-5-oxopyrrolidin-1-yl)methyl]cyclohexane-1-carbaldehyde
PubChem CID178031963
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name4-[(2-methylidene-5-oxopyrrolidin-1-yl)methyl]cyclohexane-1-carbaldehyde
SMILESC=C1CCC(=O)N1CC1CCC(C=O)CC1
InChIInChI=1S/C13H19NO2/c1-10-2-7-13(16)14(10)8-11-3-5-12(9-15)6-4-11/h9,11-12H,1-8H2
InChIKeyBSNSPHUJCNOCGS-UHFFFAOYSA-N
XLogP2.13
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(2-methylidene-5-oxopyrrolidin-1-yl)methyl]cyclohexane-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]methyl]pyrrolidine-2,5-dione
CID 175926594
1-(cycloundecylmethyl)piperidine-2,6-dione
CID 177141930
1-(cyclopropylmethyl)piperidine-4-carbaldehyde
CID 62656102
cyclohexane-1,4-dicarbaldehyde;ethene
CID 155579013
1-[[4-(2-methylpropanoyl)cyclohexyl]methyl]pyrrolidine-2,5-dione
CID 58069219
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-ethylcyclohexane-1-carboxamide
CID 166992011
ethane;4-ethylcyclohexane-1-carbaldehyde
CID 145257925
6-amino-1-(cyclohexylmethyl)-3,4-dihydroquinolin-2-one
CID 43446552
1-[(5-oxopyrrolidin-2-yl)methyl]piperidine-4-carbaldehyde
CID 107530842
1-[[4-(1-hydroxy-3,3-dimethylbutyl)cyclohexyl]methyl]pyrrolidine-2,5-dione
CID 118667729
1-(cyclobutylmethyl)piperidine-4-carbaldehyde
CID 65461855
sodium;boranuide;cyclopropanecarbaldehyde
CID 174059838

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylidene-5-oxopyrrolidin-1-yl)methyl]cyclohexane-1-carbaldehyde?
The IUPAC name of 4-[(2-methylidene-5-oxopyrrolidin-1-yl)methyl]cyclohexane-1-carbaldehyde (CID 178031963) is 4-[(2-methylidene-5-oxopyrrolidin-1-yl)methyl]cyclohexane-1-carbaldehyde.
What is the SMILES notation for 4-[(2-methylidene-5-oxopyrrolidin-1-yl)methyl]cyclohexane-1-carbaldehyde?
The canonical SMILES for 4-[(2-methylidene-5-oxopyrrolidin-1-yl)methyl]cyclohexane-1-carbaldehyde is C=C1CCC(=O)N1CC1CCC(C=O)CC1.
What is the InChIKey of 4-[(2-methylidene-5-oxopyrrolidin-1-yl)methyl]cyclohexane-1-carbaldehyde?
The InChIKey is BSNSPHUJCNOCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10-2-7-13(16)14(10)8-11-3-5-12(9-15)6-4-11/h9,11-12H,1-8H2.
What are the key properties of 4-[(2-methylidene-5-oxopyrrolidin-1-yl)methyl]cyclohexane-1-carbaldehyde?
4-[(2-methylidene-5-oxopyrrolidin-1-yl)methyl]cyclohexane-1-carbaldehyde has a molecular weight of 221.30 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylidene-5-oxopyrrolidin-1-yl)methyl]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 178031963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).