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

C15H23NO2 — CID 58895176

IUPACcyclopropylmethyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate
SMILESC=C(C)C1CC=C(CNC(=O)OCC2CC2)CC1
InChIInChI=1S/C15H23NO2/c1-11(2)14-7-5-12(6-8-14)9-16-15(17)18-10-13-3-4-13/h5,13-14H,1,3-4,6-10H2,2H3,(H,16,17)
InChIKeyOIJRKKHXRFNOKO-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.43
Rot. Bonds5

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

cyclopropylmethyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate (PubChem CID 58895176) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is cyclopropylmethyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate.

Molecular Properties

Compound Namecyclopropylmethyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate
PubChem CID58895176
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Namecyclopropylmethyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate
SMILESC=C(C)C1CC=C(CNC(=O)OCC2CC2)CC1
InChIInChI=1S/C15H23NO2/c1-11(2)14-7-5-12(6-8-14)9-16-15(17)18-10-13-3-4-13/h5,13-14H,1,3-4,6-10H2,2H3,(H,16,17)
InChIKeyOIJRKKHXRFNOKO-UHFFFAOYSA-N
XLogP3.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.43
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 cyclopropylmethyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate?
The IUPAC name of cyclopropylmethyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate (CID 58895176) is cyclopropylmethyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate.
What is the SMILES notation for cyclopropylmethyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate?
The canonical SMILES for cyclopropylmethyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate is C=C(C)C1CC=C(CNC(=O)OCC2CC2)CC1.
What is the InChIKey of cyclopropylmethyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate?
The InChIKey is OIJRKKHXRFNOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(2)14-7-5-12(6-8-14)9-16-15(17)18-10-13-3-4-13/h5,13-14H,1,3-4,6-10H2,2H3,(H,16,17).
What are the key properties of cyclopropylmethyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate?
cyclopropylmethyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate has a molecular weight of 249.35 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate is sourced from PubChem (CID 58895176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).