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

C14H21NO2 — CID 58895172

IUPACprop-2-enyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate
SMILESC=CCOC(=O)NCC1=CCC(C(=C)C)CC1
InChIInChI=1S/C14H21NO2/c1-4-9-17-14(16)15-10-12-5-7-13(8-6-12)11(2)3/h4-5,13H,1-2,6-10H2,3H3,(H,15,16)
InChIKeyFEYXIVMUFFSNNL-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.20
Rot. Bonds5

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

prop-2-enyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate (PubChem CID 58895172) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is prop-2-enyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate
PubChem CID58895172
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Nameprop-2-enyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate
SMILESC=CCOC(=O)NCC1=CCC(C(=C)C)CC1
InChIInChI=1S/C14H21NO2/c1-4-9-17-14(16)15-10-12-5-7-13(8-6-12)11(2)3/h4-5,13H,1-2,6-10H2,3H3,(H,15,16)
InChIKeyFEYXIVMUFFSNNL-UHFFFAOYSA-N
XLogP3.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.20
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 prop-2-enyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate?
The IUPAC name of prop-2-enyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate (CID 58895172) is prop-2-enyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate.
What is the SMILES notation for prop-2-enyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate?
The canonical SMILES for prop-2-enyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate is C=CCOC(=O)NCC1=CCC(C(=C)C)CC1.
What is the InChIKey of prop-2-enyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate?
The InChIKey is FEYXIVMUFFSNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-9-17-14(16)15-10-12-5-7-13(8-6-12)11(2)3/h4-5,13H,1-2,6-10H2,3H3,(H,15,16).
What are the key properties of prop-2-enyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate?
prop-2-enyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate has a molecular weight of 235.33 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate is sourced from PubChem (CID 58895172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).