[4-(cyclohex-3-ene-1-carbonyl)cyclohexa-1,3-dien-1-yl] N-methylcarbamate

C15H19NO3 — CID 163442224

IUPAC[4-(cyclohex-3-ene-1-carbonyl)cyclohexa-1,3-dien-1-yl] N-methylcarbamate
SMILESCNC(=O)OC1=CC=C(C(=O)C2CC=CCC2)CC1
InChIInChI=1S/C15H19NO3/c1-16-15(18)19-13-9-7-12(8-10-13)14(17)11-5-3-2-4-6-11/h2-3,7,9,11H,4-6,8,10H2,1H3,(H,16,18)
InChIKeyAZMPGALIUUHNQK-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.87
Rot. Bonds3

About [4-(cyclohex-3-ene-1-carbonyl)cyclohexa-1,3-dien-1-yl] N-methylcarbamate

[4-(cyclohex-3-ene-1-carbonyl)cyclohexa-1,3-dien-1-yl] N-methylcarbamate (PubChem CID 163442224) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is [4-(cyclohex-3-ene-1-carbonyl)cyclohexa-1,3-dien-1-yl] N-methylcarbamate.

Molecular Properties

Compound Name[4-(cyclohex-3-ene-1-carbonyl)cyclohexa-1,3-dien-1-yl] N-methylcarbamate
PubChem CID163442224
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name[4-(cyclohex-3-ene-1-carbonyl)cyclohexa-1,3-dien-1-yl] N-methylcarbamate
SMILESCNC(=O)OC1=CC=C(C(=O)C2CC=CCC2)CC1
InChIInChI=1S/C15H19NO3/c1-16-15(18)19-13-9-7-12(8-10-13)14(17)11-5-3-2-4-6-11/h2-3,7,9,11H,4-6,8,10H2,1H3,(H,16,18)
InChIKeyAZMPGALIUUHNQK-UHFFFAOYSA-N
XLogP2.87
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 [4-(cyclohex-3-ene-1-carbonyl)cyclohexa-1,3-dien-1-yl] N-methylcarbamate?
The IUPAC name of [4-(cyclohex-3-ene-1-carbonyl)cyclohexa-1,3-dien-1-yl] N-methylcarbamate (CID 163442224) is [4-(cyclohex-3-ene-1-carbonyl)cyclohexa-1,3-dien-1-yl] N-methylcarbamate.
What is the SMILES notation for [4-(cyclohex-3-ene-1-carbonyl)cyclohexa-1,3-dien-1-yl] N-methylcarbamate?
The canonical SMILES for [4-(cyclohex-3-ene-1-carbonyl)cyclohexa-1,3-dien-1-yl] N-methylcarbamate is CNC(=O)OC1=CC=C(C(=O)C2CC=CCC2)CC1.
What is the InChIKey of [4-(cyclohex-3-ene-1-carbonyl)cyclohexa-1,3-dien-1-yl] N-methylcarbamate?
The InChIKey is AZMPGALIUUHNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-16-15(18)19-13-9-7-12(8-10-13)14(17)11-5-3-2-4-6-11/h2-3,7,9,11H,4-6,8,10H2,1H3,(H,16,18).
What are the key properties of [4-(cyclohex-3-ene-1-carbonyl)cyclohexa-1,3-dien-1-yl] N-methylcarbamate?
[4-(cyclohex-3-ene-1-carbonyl)cyclohexa-1,3-dien-1-yl] N-methylcarbamate has a molecular weight of 261.32 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclohex-3-ene-1-carbonyl)cyclohexa-1,3-dien-1-yl] N-methylcarbamate is sourced from PubChem (CID 163442224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).