but-3-enyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate

C15H23NO2 — CID 58895248

IUPACbut-3-enyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate
SMILESC=CCCOC(=O)NCC1=CCC(C(=C)C)CC1
InChIInChI=1S/C15H23NO2/c1-4-5-10-18-15(17)16-11-13-6-8-14(9-7-13)12(2)3/h4,6,14H,1-2,5,7-11H2,3H3,(H,16,17)
InChIKeyGKTLRXXCGPKRBX-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.59
Rot. Bonds6

About but-3-enyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate

but-3-enyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate (PubChem CID 58895248) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is but-3-enyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate.

Molecular Properties

Compound Namebut-3-enyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate
PubChem CID58895248
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Namebut-3-enyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate
SMILESC=CCCOC(=O)NCC1=CCC(C(=C)C)CC1
InChIInChI=1S/C15H23NO2/c1-4-5-10-18-15(17)16-11-13-6-8-14(9-7-13)12(2)3/h4,6,14H,1-2,5,7-11H2,3H3,(H,16,17)
InChIKeyGKTLRXXCGPKRBX-UHFFFAOYSA-N
XLogP3.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of but-3-enyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate?
The IUPAC name of but-3-enyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate (CID 58895248) is but-3-enyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate.
What is the SMILES notation for but-3-enyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate?
The canonical SMILES for but-3-enyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate is C=CCCOC(=O)NCC1=CCC(C(=C)C)CC1.
What is the InChIKey of but-3-enyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate?
The InChIKey is GKTLRXXCGPKRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-5-10-18-15(17)16-11-13-6-8-14(9-7-13)12(2)3/h4,6,14H,1-2,5,7-11H2,3H3,(H,16,17).
What are the key properties of but-3-enyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate?
but-3-enyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate has a molecular weight of 249.35 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate is sourced from PubChem (CID 58895248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).