4-cyclohexa-2,4-dien-1-yl-1,2-dihydropyrrol-5-one

C10H11NO — CID 67765124

IUPAC4-cyclohexa-2,4-dien-1-yl-1,2-dihydropyrrol-5-one
SMILESO=C1NCC=C1C1C=CC=CC1
InChIInChI=1S/C10H11NO/c12-10-9(6-7-11-10)8-4-2-1-3-5-8/h1-4,6,8H,5,7H2,(H,11,12)
InChIKeyLXDVOELRAZHWEA-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.17
Rot. Bonds1

About 4-cyclohexa-2,4-dien-1-yl-1,2-dihydropyrrol-5-one

4-cyclohexa-2,4-dien-1-yl-1,2-dihydropyrrol-5-one (PubChem CID 67765124) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 4-cyclohexa-2,4-dien-1-yl-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name4-cyclohexa-2,4-dien-1-yl-1,2-dihydropyrrol-5-one
PubChem CID67765124
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name4-cyclohexa-2,4-dien-1-yl-1,2-dihydropyrrol-5-one
SMILESO=C1NCC=C1C1C=CC=CC1
InChIInChI=1S/C10H11NO/c12-10-9(6-7-11-10)8-4-2-1-3-5-8/h1-4,6,8H,5,7H2,(H,11,12)
InChIKeyLXDVOELRAZHWEA-UHFFFAOYSA-N
XLogP1.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-2,4-dien-1-yl-1,2-dihydropyrrol-5-one?
The IUPAC name of 4-cyclohexa-2,4-dien-1-yl-1,2-dihydropyrrol-5-one (CID 67765124) is 4-cyclohexa-2,4-dien-1-yl-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 4-cyclohexa-2,4-dien-1-yl-1,2-dihydropyrrol-5-one?
The canonical SMILES for 4-cyclohexa-2,4-dien-1-yl-1,2-dihydropyrrol-5-one is O=C1NCC=C1C1C=CC=CC1.
What is the InChIKey of 4-cyclohexa-2,4-dien-1-yl-1,2-dihydropyrrol-5-one?
The InChIKey is LXDVOELRAZHWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c12-10-9(6-7-11-10)8-4-2-1-3-5-8/h1-4,6,8H,5,7H2,(H,11,12).
What are the key properties of 4-cyclohexa-2,4-dien-1-yl-1,2-dihydropyrrol-5-one?
4-cyclohexa-2,4-dien-1-yl-1,2-dihydropyrrol-5-one has a molecular weight of 161.20 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-2,4-dien-1-yl-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 67765124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).