(4-formylcyclohexyl)-methylcarbamic acid

C9H15NO3 — CID 22236272

IUPAC(4-formylcyclohexyl)-methylcarbamic acid
SMILESCN(C(=O)O)C1CCC(C=O)CC1
InChIInChI=1S/C9H15NO3/c1-10(9(12)13)8-4-2-7(6-11)3-5-8/h6-8H,2-5H2,1H3,(H,12,13)
InChIKeyDRYPDPLKJSBZOU-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.35
Rot. Bonds2

About (4-formylcyclohexyl)-methylcarbamic acid

(4-formylcyclohexyl)-methylcarbamic acid (PubChem CID 22236272) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is (4-formylcyclohexyl)-methylcarbamic acid.

Molecular Properties

Compound Name(4-formylcyclohexyl)-methylcarbamic acid
PubChem CID22236272
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name(4-formylcyclohexyl)-methylcarbamic acid
SMILESCN(C(=O)O)C1CCC(C=O)CC1
InChIInChI=1S/C9H15NO3/c1-10(9(12)13)8-4-2-7(6-11)3-5-8/h6-8H,2-5H2,1H3,(H,12,13)
InChIKeyDRYPDPLKJSBZOU-UHFFFAOYSA-N
XLogP1.35
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4-formylcyclohexyl)-methylcarbamic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-formylcyclohexyl)-methylcarbamic acid?
The IUPAC name of (4-formylcyclohexyl)-methylcarbamic acid (CID 22236272) is (4-formylcyclohexyl)-methylcarbamic acid.
What is the SMILES notation for (4-formylcyclohexyl)-methylcarbamic acid?
The canonical SMILES for (4-formylcyclohexyl)-methylcarbamic acid is CN(C(=O)O)C1CCC(C=O)CC1.
What is the InChIKey of (4-formylcyclohexyl)-methylcarbamic acid?
The InChIKey is DRYPDPLKJSBZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-10(9(12)13)8-4-2-7(6-11)3-5-8/h6-8H,2-5H2,1H3,(H,12,13).
What are the key properties of (4-formylcyclohexyl)-methylcarbamic acid?
(4-formylcyclohexyl)-methylcarbamic acid has a molecular weight of 185.22 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-formylcyclohexyl)-methylcarbamic acid is sourced from PubChem (CID 22236272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).