methyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate

C12H19NO2 — CID 58895193

IUPACmethyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate
SMILESC=C(C)C1CC=C(CNC(=O)OC)CC1
InChIInChI=1S/C12H19NO2/c1-9(2)11-6-4-10(5-7-11)8-13-12(14)15-3/h4,11H,1,5-8H2,2-3H3,(H,13,14)
InChIKeyJBSFJRAALFJIOT-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.64
Rot. Bonds3

About methyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate

methyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate (PubChem CID 58895193) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is methyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate
PubChem CID58895193
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Namemethyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate
SMILESC=C(C)C1CC=C(CNC(=O)OC)CC1
InChIInChI=1S/C12H19NO2/c1-9(2)11-6-4-10(5-7-11)8-13-12(14)15-3/h4,11H,1,5-8H2,2-3H3,(H,13,14)
InChIKeyJBSFJRAALFJIOT-UHFFFAOYSA-N
XLogP2.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 methyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate?
The IUPAC name of methyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate (CID 58895193) is methyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate.
What is the SMILES notation for methyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate?
The canonical SMILES for methyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate is C=C(C)C1CC=C(CNC(=O)OC)CC1.
What is the InChIKey of methyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate?
The InChIKey is JBSFJRAALFJIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-9(2)11-6-4-10(5-7-11)8-13-12(14)15-3/h4,11H,1,5-8H2,2-3H3,(H,13,14).
What are the key properties of methyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate?
methyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate has a molecular weight of 209.29 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate is sourced from PubChem (CID 58895193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).