ethyl-(6-methoxycarbonylcyclohex-2-en-1-yl)carbamic acid

C11H17NO4 — CID 67826156

IUPACethyl-(6-methoxycarbonylcyclohex-2-en-1-yl)carbamic acid
SMILESCCN(C(=O)O)C1C=CCCC1C(=O)OC
InChIInChI=1S/C11H17NO4/c1-3-12(11(14)15)9-7-5-4-6-8(9)10(13)16-2/h5,7-9H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyKAKIRAKBPXNROF-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.49
Rot. Bonds3

About ethyl-(6-methoxycarbonylcyclohex-2-en-1-yl)carbamic acid

ethyl-(6-methoxycarbonylcyclohex-2-en-1-yl)carbamic acid (PubChem CID 67826156) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is ethyl-(6-methoxycarbonylcyclohex-2-en-1-yl)carbamic acid.

Molecular Properties

Compound Nameethyl-(6-methoxycarbonylcyclohex-2-en-1-yl)carbamic acid
PubChem CID67826156
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Nameethyl-(6-methoxycarbonylcyclohex-2-en-1-yl)carbamic acid
SMILESCCN(C(=O)O)C1C=CCCC1C(=O)OC
InChIInChI=1S/C11H17NO4/c1-3-12(11(14)15)9-7-5-4-6-8(9)10(13)16-2/h5,7-9H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyKAKIRAKBPXNROF-UHFFFAOYSA-N
XLogP1.49
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(1S,4S)-6-methoxycarbonyl-4-methylcyclohex-2-en-1-yl]carbamic acid
CID 57309621
methyl (1R,5R)-5-(diethylamino)cyclohex-3-ene-1-carboxylate
CID 10954841
methyl (1R,5S)-5-(diethylamino)cyclohex-3-ene-1-carboxylate
CID 134900442
Methyl 2-pyrrolidin-1-ylcyclohex-3-ene-1-carboxylate
CID 134980809
methyl (1R,6S)-6-methyl-2-pyrrolidin-1-ylcyclohex-3-ene-1-carboxylate
CID 134980810
Ethyl 2-pyrrolidin-1-ylcyclohex-3-ene-1-carboxylate
CID 134992023
Ethyl 2-(diethylamino)cyclohex-3-ene-1-carboxylate
CID 13735240
2-O-tert-butyl 6-O-methyl (1S,4R,6S)-2-azabicyclo[2.2.2]oct-7-ene-2,6-dicarboxylate
CID 12110922
2,6-Dimethyl 2-azabicyclo[2.2.2]oct-7-ene-2,6-dicarboxylate
CID 14110890
Methyl 2-(methoxycarbonylamino)-5-methylcyclohex-3-ene-1-carboxylate
CID 15279824
2-O-tert-butyl 6-O-methyl 2-azabicyclo[2.2.2]oct-7-ene-2,6-dicarboxylate
CID 15730583
(6-Methoxycarbonyl-4-methylcyclohex-2-en-1-yl)carbamic acid
CID 19958313

Frequently Asked Questions

What is the IUPAC name of ethyl-(6-methoxycarbonylcyclohex-2-en-1-yl)carbamic acid?
The IUPAC name of ethyl-(6-methoxycarbonylcyclohex-2-en-1-yl)carbamic acid (CID 67826156) is ethyl-(6-methoxycarbonylcyclohex-2-en-1-yl)carbamic acid.
What is the SMILES notation for ethyl-(6-methoxycarbonylcyclohex-2-en-1-yl)carbamic acid?
The canonical SMILES for ethyl-(6-methoxycarbonylcyclohex-2-en-1-yl)carbamic acid is CCN(C(=O)O)C1C=CCCC1C(=O)OC.
What is the InChIKey of ethyl-(6-methoxycarbonylcyclohex-2-en-1-yl)carbamic acid?
The InChIKey is KAKIRAKBPXNROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-3-12(11(14)15)9-7-5-4-6-8(9)10(13)16-2/h5,7-9H,3-4,6H2,1-2H3,(H,14,15).
What are the key properties of ethyl-(6-methoxycarbonylcyclohex-2-en-1-yl)carbamic acid?
ethyl-(6-methoxycarbonylcyclohex-2-en-1-yl)carbamic acid has a molecular weight of 227.26 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-(6-methoxycarbonylcyclohex-2-en-1-yl)carbamic acid is sourced from PubChem (CID 67826156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).