ethyl N-[(4R)-4-prop-1-en-2-ylcyclohexene-1-carbonyl]carbamate

C13H19NO3 — CID 91137121

IUPACethyl N-[(4R)-4-prop-1-en-2-ylcyclohexene-1-carbonyl]carbamate
SMILESC=C(C)[C@H]1CC=C(C(=O)NC(=O)OCC)CC1
InChIInChI=1S/C13H19NO3/c1-4-17-13(16)14-12(15)11-7-5-10(6-8-11)9(2)3/h7,10H,2,4-6,8H2,1,3H3,(H,14,15,16)/t10-/m0/s1
InChIKeyDGLLUYLLANMLEH-JTQLQIEISA-N
MW237.30 g/mol
LogP2.56
Rot. Bonds3

About ethyl N-[(4R)-4-prop-1-en-2-ylcyclohexene-1-carbonyl]carbamate

ethyl N-[(4R)-4-prop-1-en-2-ylcyclohexene-1-carbonyl]carbamate (PubChem CID 91137121) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is ethyl N-[(4R)-4-prop-1-en-2-ylcyclohexene-1-carbonyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(4R)-4-prop-1-en-2-ylcyclohexene-1-carbonyl]carbamate
PubChem CID91137121
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Nameethyl N-[(4R)-4-prop-1-en-2-ylcyclohexene-1-carbonyl]carbamate
SMILESC=C(C)[C@H]1CC=C(C(=O)NC(=O)OCC)CC1
InChIInChI=1S/C13H19NO3/c1-4-17-13(16)14-12(15)11-7-5-10(6-8-11)9(2)3/h7,10H,2,4-6,8H2,1,3H3,(H,14,15,16)/t10-/m0/s1
InChIKeyDGLLUYLLANMLEH-JTQLQIEISA-N
XLogP2.56
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[(4R)-4-prop-1-en-2-ylcyclohexene-1-carbonyl]carbamate?
The IUPAC name of ethyl N-[(4R)-4-prop-1-en-2-ylcyclohexene-1-carbonyl]carbamate (CID 91137121) is ethyl N-[(4R)-4-prop-1-en-2-ylcyclohexene-1-carbonyl]carbamate.
What is the SMILES notation for ethyl N-[(4R)-4-prop-1-en-2-ylcyclohexene-1-carbonyl]carbamate?
The canonical SMILES for ethyl N-[(4R)-4-prop-1-en-2-ylcyclohexene-1-carbonyl]carbamate is C=C(C)[C@H]1CC=C(C(=O)NC(=O)OCC)CC1.
What is the InChIKey of ethyl N-[(4R)-4-prop-1-en-2-ylcyclohexene-1-carbonyl]carbamate?
The InChIKey is DGLLUYLLANMLEH-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19NO3/c1-4-17-13(16)14-12(15)11-7-5-10(6-8-11)9(2)3/h7,10H,2,4-6,8H2,1,3H3,(H,14,15,16)/t10-/m0/s1.
What are the key properties of ethyl N-[(4R)-4-prop-1-en-2-ylcyclohexene-1-carbonyl]carbamate?
ethyl N-[(4R)-4-prop-1-en-2-ylcyclohexene-1-carbonyl]carbamate has a molecular weight of 237.30 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(4R)-4-prop-1-en-2-ylcyclohexene-1-carbonyl]carbamate is sourced from PubChem (CID 91137121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).