methyl N-cyclohexa-1,5-dien-1-ylcarbamate

C8H11NO2 — CID 145077973

IUPACmethyl N-cyclohexa-1,5-dien-1-ylcarbamate
SMILESCOC(=O)NC1=CCCC=C1
InChIInChI=1S/C8H11NO2/c1-11-8(10)9-7-5-3-2-4-6-7/h3,5-6H,2,4H2,1H3,(H,9,10)
InChIKeyOTTCZQGJRUFLSB-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.58
Rot. Bonds1

About methyl N-cyclohexa-1,5-dien-1-ylcarbamate

methyl N-cyclohexa-1,5-dien-1-ylcarbamate (PubChem CID 145077973) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is methyl N-cyclohexa-1,5-dien-1-ylcarbamate.

Molecular Properties

Compound Namemethyl N-cyclohexa-1,5-dien-1-ylcarbamate
PubChem CID145077973
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Namemethyl N-cyclohexa-1,5-dien-1-ylcarbamate
SMILESCOC(=O)NC1=CCCC=C1
InChIInChI=1S/C8H11NO2/c1-11-8(10)9-7-5-3-2-4-6-7/h3,5-6H,2,4H2,1H3,(H,9,10)
InChIKeyOTTCZQGJRUFLSB-UHFFFAOYSA-N
XLogP1.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl N-cyclohexa-1,5-dien-1-ylcarbamate?
The IUPAC name of methyl N-cyclohexa-1,5-dien-1-ylcarbamate (CID 145077973) is methyl N-cyclohexa-1,5-dien-1-ylcarbamate.
What is the SMILES notation for methyl N-cyclohexa-1,5-dien-1-ylcarbamate?
The canonical SMILES for methyl N-cyclohexa-1,5-dien-1-ylcarbamate is COC(=O)NC1=CCCC=C1.
What is the InChIKey of methyl N-cyclohexa-1,5-dien-1-ylcarbamate?
The InChIKey is OTTCZQGJRUFLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-11-8(10)9-7-5-3-2-4-6-7/h3,5-6H,2,4H2,1H3,(H,9,10).
What are the key properties of methyl N-cyclohexa-1,5-dien-1-ylcarbamate?
methyl N-cyclohexa-1,5-dien-1-ylcarbamate has a molecular weight of 153.18 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-cyclohexa-1,5-dien-1-ylcarbamate is sourced from PubChem (CID 145077973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).