(1S,6R)-6-(prop-2-enylcarbamoyl)cyclohex-3-ene-1-carboxylate

C11H14NO3- — CID 6993065

IUPAC(1S,6R)-6-(prop-2-enylcarbamoyl)cyclohex-3-ene-1-carboxylate
SMILESC=CCNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-]
InChIInChI=1S/C11H15NO3/c1-2-7-12-10(13)8-5-3-4-6-9(8)11(14)15/h2-4,8-9H,1,5-7H2,(H,12,13)(H,14,15)/p-1/t8-,9+/m1/s1
InChIKeyWOVNLQWKGISOPF-BDAKNGLRSA-M
MW208.24 g/mol
LogP-0.38
Rot. Bonds4

About (1S,6R)-6-(prop-2-enylcarbamoyl)cyclohex-3-ene-1-carboxylate

(1S,6R)-6-(prop-2-enylcarbamoyl)cyclohex-3-ene-1-carboxylate (PubChem CID 6993065) has the molecular formula C11H14NO3- and a molecular weight of 208.24 g/mol. Its IUPAC name is (1S,6R)-6-(prop-2-enylcarbamoyl)cyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Name(1S,6R)-6-(prop-2-enylcarbamoyl)cyclohex-3-ene-1-carboxylate
PubChem CID6993065
Molecular FormulaC11H14NO3-
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name(1S,6R)-6-(prop-2-enylcarbamoyl)cyclohex-3-ene-1-carboxylate
SMILESC=CCNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-]
InChIInChI=1S/C11H15NO3/c1-2-7-12-10(13)8-5-3-4-6-9(8)11(14)15/h2-4,8-9H,1,5-7H2,(H,12,13)(H,14,15)/p-1/t8-,9+/m1/s1
InChIKeyWOVNLQWKGISOPF-BDAKNGLRSA-M
XLogP-0.38
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 5-0.38
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

(1S,2S)-2-N-phenyl-1-N-prop-2-enylcyclohex-4-ene-1,2-dicarboxamide
CID 2054823
(1S,2S)-2-N-(2-nitrophenyl)-1-N-prop-2-enylcyclohex-4-ene-1,2-dicarboxamide
CID 7070884
(1R,2S)-2-N-(2-nitrophenyl)-1-N-prop-2-enylcyclohex-4-ene-1,2-dicarboxamide
CID 7070883
sodium;cyclohex-4-ene-1,2-dicarboxylate;hydron
CID 70591363
(1S,6S)-6-[(4-fluorophenyl)methylcarbamoyl]cyclohex-3-ene-1-carboxylate
CID 7550139
(1S,6R)-6-[(4-fluorophenyl)methylcarbamoyl]cyclohex-3-ene-1-carboxylate
CID 7550137
N-prop-2-enylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 54017402
(1S,2R,4R,6S)-6-hydroxy-N-prop-2-enylbicyclo[2.2.1]heptane-2-carboxamide
CID 130992166
(1S,6R)-6-(2-prop-2-enylsulfanylethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 106426603
N-prop-2-enyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115583697
(1S,6R)-6-[(4-bromophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate
CID 6951024
(1R,2S,3R,4R)-2-N,3-N-bis(prop-2-enyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
CID 98532681

Frequently Asked Questions

What is the IUPAC name of (1S,6R)-6-(prop-2-enylcarbamoyl)cyclohex-3-ene-1-carboxylate?
The IUPAC name of (1S,6R)-6-(prop-2-enylcarbamoyl)cyclohex-3-ene-1-carboxylate (CID 6993065) is (1S,6R)-6-(prop-2-enylcarbamoyl)cyclohex-3-ene-1-carboxylate.
What is the SMILES notation for (1S,6R)-6-(prop-2-enylcarbamoyl)cyclohex-3-ene-1-carboxylate?
The canonical SMILES for (1S,6R)-6-(prop-2-enylcarbamoyl)cyclohex-3-ene-1-carboxylate is C=CCNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-].
What is the InChIKey of (1S,6R)-6-(prop-2-enylcarbamoyl)cyclohex-3-ene-1-carboxylate?
The InChIKey is WOVNLQWKGISOPF-BDAKNGLRSA-M. The full InChI is InChI=1S/C11H15NO3/c1-2-7-12-10(13)8-5-3-4-6-9(8)11(14)15/h2-4,8-9H,1,5-7H2,(H,12,13)(H,14,15)/p-1/t8-,9+/m1/s1.
What are the key properties of (1S,6R)-6-(prop-2-enylcarbamoyl)cyclohex-3-ene-1-carboxylate?
(1S,6R)-6-(prop-2-enylcarbamoyl)cyclohex-3-ene-1-carboxylate has a molecular weight of 208.24 g/mol, XLogP of -0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-6-(prop-2-enylcarbamoyl)cyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 6993065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).