propan-2-yl N-cyclohexa-1,5-dien-1-ylcarbamate

C10H15NO2 — CID 123301112

IUPACpropan-2-yl N-cyclohexa-1,5-dien-1-ylcarbamate
SMILESCC(C)OC(=O)NC1=CCCC=C1
InChIInChI=1S/C10H15NO2/c1-8(2)13-10(12)11-9-6-4-3-5-7-9/h4,6-8H,3,5H2,1-2H3,(H,11,12)
InChIKeyLQLANOMVYFXRHN-UHFFFAOYSA-N
MW181.23 g/mol
LogP2.35
Rot. Bonds2

About propan-2-yl N-cyclohexa-1,5-dien-1-ylcarbamate

propan-2-yl N-cyclohexa-1,5-dien-1-ylcarbamate (PubChem CID 123301112) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is propan-2-yl N-cyclohexa-1,5-dien-1-ylcarbamate.

Molecular Properties

Compound Namepropan-2-yl N-cyclohexa-1,5-dien-1-ylcarbamate
PubChem CID123301112
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Namepropan-2-yl N-cyclohexa-1,5-dien-1-ylcarbamate
SMILESCC(C)OC(=O)NC1=CCCC=C1
InChIInChI=1S/C10H15NO2/c1-8(2)13-10(12)11-9-6-4-3-5-7-9/h4,6-8H,3,5H2,1-2H3,(H,11,12)
InChIKeyLQLANOMVYFXRHN-UHFFFAOYSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-cyclohexa-1,5-dien-1-ylcarbamate?
The IUPAC name of propan-2-yl N-cyclohexa-1,5-dien-1-ylcarbamate (CID 123301112) is propan-2-yl N-cyclohexa-1,5-dien-1-ylcarbamate.
What is the SMILES notation for propan-2-yl N-cyclohexa-1,5-dien-1-ylcarbamate?
The canonical SMILES for propan-2-yl N-cyclohexa-1,5-dien-1-ylcarbamate is CC(C)OC(=O)NC1=CCCC=C1.
What is the InChIKey of propan-2-yl N-cyclohexa-1,5-dien-1-ylcarbamate?
The InChIKey is LQLANOMVYFXRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-8(2)13-10(12)11-9-6-4-3-5-7-9/h4,6-8H,3,5H2,1-2H3,(H,11,12).
What are the key properties of propan-2-yl N-cyclohexa-1,5-dien-1-ylcarbamate?
propan-2-yl N-cyclohexa-1,5-dien-1-ylcarbamate has a molecular weight of 181.23 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-cyclohexa-1,5-dien-1-ylcarbamate is sourced from PubChem (CID 123301112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).