ethyl-(6-formyl-5-methylcyclohex-2-en-1-yl)carbamic acid

C11H17NO3 — CID 54457741

IUPACethyl-(6-formyl-5-methylcyclohex-2-en-1-yl)carbamic acid
SMILESCCN(C(=O)O)C1C=CCC(C)C1C=O
InChIInChI=1S/C11H17NO3/c1-3-12(11(14)15)10-6-4-5-8(2)9(10)7-13/h4,6-10H,3,5H2,1-2H3,(H,14,15)
InChIKeyWZKLWEKFWZXLNC-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.77
Rot. Bonds3

About ethyl-(6-formyl-5-methylcyclohex-2-en-1-yl)carbamic acid

ethyl-(6-formyl-5-methylcyclohex-2-en-1-yl)carbamic acid (PubChem CID 54457741) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is ethyl-(6-formyl-5-methylcyclohex-2-en-1-yl)carbamic acid.

Molecular Properties

Compound Nameethyl-(6-formyl-5-methylcyclohex-2-en-1-yl)carbamic acid
PubChem CID54457741
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Nameethyl-(6-formyl-5-methylcyclohex-2-en-1-yl)carbamic acid
SMILESCCN(C(=O)O)C1C=CCC(C)C1C=O
InChIInChI=1S/C11H17NO3/c1-3-12(11(14)15)10-6-4-5-8(2)9(10)7-13/h4,6-10H,3,5H2,1-2H3,(H,14,15)
InChIKeyWZKLWEKFWZXLNC-UHFFFAOYSA-N
XLogP1.77
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.77
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'}

Analyze ethyl-(6-formyl-5-methylcyclohex-2-en-1-yl)carbamic 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 ethyl-(6-formyl-5-methylcyclohex-2-en-1-yl)carbamic acid?
The IUPAC name of ethyl-(6-formyl-5-methylcyclohex-2-en-1-yl)carbamic acid (CID 54457741) is ethyl-(6-formyl-5-methylcyclohex-2-en-1-yl)carbamic acid.
What is the SMILES notation for ethyl-(6-formyl-5-methylcyclohex-2-en-1-yl)carbamic acid?
The canonical SMILES for ethyl-(6-formyl-5-methylcyclohex-2-en-1-yl)carbamic acid is CCN(C(=O)O)C1C=CCC(C)C1C=O.
What is the InChIKey of ethyl-(6-formyl-5-methylcyclohex-2-en-1-yl)carbamic acid?
The InChIKey is WZKLWEKFWZXLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-3-12(11(14)15)10-6-4-5-8(2)9(10)7-13/h4,6-10H,3,5H2,1-2H3,(H,14,15).
What are the key properties of ethyl-(6-formyl-5-methylcyclohex-2-en-1-yl)carbamic acid?
ethyl-(6-formyl-5-methylcyclohex-2-en-1-yl)carbamic acid has a molecular weight of 211.26 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-(6-formyl-5-methylcyclohex-2-en-1-yl)carbamic acid is sourced from PubChem (CID 54457741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).