2-(6-methoxycarbonylcyclohexen-1-yl)ethylcarbamic acid

C11H17NO4 — CID 67826158

IUPAC2-(6-methoxycarbonylcyclohexen-1-yl)ethylcarbamic acid
SMILESCOC(=O)C1CCCC=C1CCNC(=O)O
InChIInChI=1S/C11H17NO4/c1-16-10(13)9-5-3-2-4-8(9)6-7-12-11(14)15/h4,9,12H,2-3,5-7H2,1H3,(H,14,15)
InChIKeyDLUYONKQAYRUFH-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.54
Rot. Bonds4

About 2-(6-methoxycarbonylcyclohexen-1-yl)ethylcarbamic acid

2-(6-methoxycarbonylcyclohexen-1-yl)ethylcarbamic acid (PubChem CID 67826158) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-(6-methoxycarbonylcyclohexen-1-yl)ethylcarbamic acid.

Molecular Properties

Compound Name2-(6-methoxycarbonylcyclohexen-1-yl)ethylcarbamic acid
PubChem CID67826158
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name2-(6-methoxycarbonylcyclohexen-1-yl)ethylcarbamic acid
SMILESCOC(=O)C1CCCC=C1CCNC(=O)O
InChIInChI=1S/C11H17NO4/c1-16-10(13)9-5-3-2-4-8(9)6-7-12-11(14)15/h4,9,12H,2-3,5-7H2,1H3,(H,14,15)
InChIKeyDLUYONKQAYRUFH-UHFFFAOYSA-N
XLogP1.54
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(benzylcarbamoyl)cyclohex-2-ene-1-carboxylate
CID 11065619
2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]ethylcarbamic acid
CID 67217694
ethyl 2-methylcyclohex-2-ene-1-carboxylate
CID 10397194
2-(4-cyclopentyloxy-5-methoxy-2-pyridinyl)ethylcarbamic acid
CID 18763381
methyl 3-(6-pyrrolidin-1-ylcyclohexen-1-yl)propanoate
CID 54342619
ethyl 2-cyanocyclohex-2-ene-1-carboxylate
CID 15051955
methyl 2-(6-acetyloxycyclohexen-1-yl)acetate
CID 12648748
dimethyl (1R,4R)-2,3-di(cyclohexen-1-yl)cyclohexa-2,5-diene-1,4-dicarboxylate
CID 10021186
2-O-methyl 1-O-(2,2,2-trichloroethyl) cyclohex-2-ene-1,2-dicarboxylate
CID 102481352
3-methoxycarbonylcyclohexene-1,2-dicarboxylic acid
CID 57311461
methyl 2-methylidenecyclopentane-1-carboxylate
CID 557112
2-(2-methoxy-4,5-dimethylphenyl)ethylcarbamic acid
CID 115171106

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxycarbonylcyclohexen-1-yl)ethylcarbamic acid?
The IUPAC name of 2-(6-methoxycarbonylcyclohexen-1-yl)ethylcarbamic acid (CID 67826158) is 2-(6-methoxycarbonylcyclohexen-1-yl)ethylcarbamic acid.
What is the SMILES notation for 2-(6-methoxycarbonylcyclohexen-1-yl)ethylcarbamic acid?
The canonical SMILES for 2-(6-methoxycarbonylcyclohexen-1-yl)ethylcarbamic acid is COC(=O)C1CCCC=C1CCNC(=O)O.
What is the InChIKey of 2-(6-methoxycarbonylcyclohexen-1-yl)ethylcarbamic acid?
The InChIKey is DLUYONKQAYRUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-16-10(13)9-5-3-2-4-8(9)6-7-12-11(14)15/h4,9,12H,2-3,5-7H2,1H3,(H,14,15).
What are the key properties of 2-(6-methoxycarbonylcyclohexen-1-yl)ethylcarbamic acid?
2-(6-methoxycarbonylcyclohexen-1-yl)ethylcarbamic acid has a molecular weight of 227.26 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxycarbonylcyclohexen-1-yl)ethylcarbamic acid is sourced from PubChem (CID 67826158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).