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

C14H23NO2 — CID 58895179

IUPACpropyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate
SMILESC=C(C)C1CC=C(CNC(=O)OCCC)CC1
InChIInChI=1S/C14H23NO2/c1-4-9-17-14(16)15-10-12-5-7-13(8-6-12)11(2)3/h5,13H,2,4,6-10H2,1,3H3,(H,15,16)
InChIKeyHHDIHWKRGYCPRY-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.43
Rot. Bonds5

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

propyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate (PubChem CID 58895179) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is propyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate.

Molecular Properties

Compound Namepropyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate
PubChem CID58895179
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Namepropyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate
SMILESC=C(C)C1CC=C(CNC(=O)OCCC)CC1
InChIInChI=1S/C14H23NO2/c1-4-9-17-14(16)15-10-12-5-7-13(8-6-12)11(2)3/h5,13H,2,4,6-10H2,1,3H3,(H,15,16)
InChIKeyHHDIHWKRGYCPRY-UHFFFAOYSA-N
XLogP3.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
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 propyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate?
The IUPAC name of propyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate (CID 58895179) is propyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate.
What is the SMILES notation for propyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate?
The canonical SMILES for propyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate is C=C(C)C1CC=C(CNC(=O)OCCC)CC1.
What is the InChIKey of propyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate?
The InChIKey is HHDIHWKRGYCPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-9-17-14(16)15-10-12-5-7-13(8-6-12)11(2)3/h5,13H,2,4,6-10H2,1,3H3,(H,15,16).
What are the key properties of propyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate?
propyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate has a molecular weight of 237.34 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 propyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate is sourced from PubChem (CID 58895179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).