ethyl N-(6-formyl-5-methylcyclohex-2-en-1-yl)carbamate

C11H17NO3 — CID 12732641

IUPACethyl N-(6-formyl-5-methylcyclohex-2-en-1-yl)carbamate
SMILESCCOC(=O)NC1C=CCC(C)C1C=O
InChIInChI=1S/C11H17NO3/c1-3-15-11(14)12-10-6-4-5-8(2)9(10)7-13/h4,6-10H,3,5H2,1-2H3,(H,12,14)
InChIKeySEJQQOJASMQYAZ-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.51
Rot. Bonds3

About ethyl N-(6-formyl-5-methylcyclohex-2-en-1-yl)carbamate

ethyl N-(6-formyl-5-methylcyclohex-2-en-1-yl)carbamate (PubChem CID 12732641) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is ethyl N-(6-formyl-5-methylcyclohex-2-en-1-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(6-formyl-5-methylcyclohex-2-en-1-yl)carbamate
PubChem CID12732641
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Nameethyl N-(6-formyl-5-methylcyclohex-2-en-1-yl)carbamate
SMILESCCOC(=O)NC1C=CCC(C)C1C=O
InChIInChI=1S/C11H17NO3/c1-3-15-11(14)12-10-6-4-5-8(2)9(10)7-13/h4,6-10H,3,5H2,1-2H3,(H,12,14)
InChIKeySEJQQOJASMQYAZ-UHFFFAOYSA-N
XLogP1.51
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(6-formyl-5-methylcyclohex-2-en-1-yl)carbamate?
The IUPAC name of ethyl N-(6-formyl-5-methylcyclohex-2-en-1-yl)carbamate (CID 12732641) is ethyl N-(6-formyl-5-methylcyclohex-2-en-1-yl)carbamate.
What is the SMILES notation for ethyl N-(6-formyl-5-methylcyclohex-2-en-1-yl)carbamate?
The canonical SMILES for ethyl N-(6-formyl-5-methylcyclohex-2-en-1-yl)carbamate is CCOC(=O)NC1C=CCC(C)C1C=O.
What is the InChIKey of ethyl N-(6-formyl-5-methylcyclohex-2-en-1-yl)carbamate?
The InChIKey is SEJQQOJASMQYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-3-15-11(14)12-10-6-4-5-8(2)9(10)7-13/h4,6-10H,3,5H2,1-2H3,(H,12,14).
What are the key properties of ethyl N-(6-formyl-5-methylcyclohex-2-en-1-yl)carbamate?
ethyl N-(6-formyl-5-methylcyclohex-2-en-1-yl)carbamate has a molecular weight of 211.26 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(6-formyl-5-methylcyclohex-2-en-1-yl)carbamate is sourced from PubChem (CID 12732641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).