N-cyclopenta-2,4-dien-1-yl-2-oxopropanamide

C8H9NO2 — CID 20612546

IUPACN-cyclopenta-2,4-dien-1-yl-2-oxopropanamide
SMILESCC(=O)C(=O)NC1C=CC=C1
InChIInChI=1S/C8H9NO2/c1-6(10)8(11)9-7-4-2-3-5-7/h2-5,7H,1H3,(H,9,11)
InChIKeyMDOBZTBMRZJTGL-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.19
Rot. Bonds2

About N-cyclopenta-2,4-dien-1-yl-2-oxopropanamide

N-cyclopenta-2,4-dien-1-yl-2-oxopropanamide (PubChem CID 20612546) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is N-cyclopenta-2,4-dien-1-yl-2-oxopropanamide.

Molecular Properties

Compound NameN-cyclopenta-2,4-dien-1-yl-2-oxopropanamide
PubChem CID20612546
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC NameN-cyclopenta-2,4-dien-1-yl-2-oxopropanamide
SMILESCC(=O)C(=O)NC1C=CC=C1
InChIInChI=1S/C8H9NO2/c1-6(10)8(11)9-7-4-2-3-5-7/h2-5,7H,1H3,(H,9,11)
InChIKeyMDOBZTBMRZJTGL-UHFFFAOYSA-N
XLogP0.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopenta-2,4-dien-1-yl-2-oxopropanamide?
The IUPAC name of N-cyclopenta-2,4-dien-1-yl-2-oxopropanamide (CID 20612546) is N-cyclopenta-2,4-dien-1-yl-2-oxopropanamide.
What is the SMILES notation for N-cyclopenta-2,4-dien-1-yl-2-oxopropanamide?
The canonical SMILES for N-cyclopenta-2,4-dien-1-yl-2-oxopropanamide is CC(=O)C(=O)NC1C=CC=C1.
What is the InChIKey of N-cyclopenta-2,4-dien-1-yl-2-oxopropanamide?
The InChIKey is MDOBZTBMRZJTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-6(10)8(11)9-7-4-2-3-5-7/h2-5,7H,1H3,(H,9,11).
What are the key properties of N-cyclopenta-2,4-dien-1-yl-2-oxopropanamide?
N-cyclopenta-2,4-dien-1-yl-2-oxopropanamide has a molecular weight of 151.16 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopenta-2,4-dien-1-yl-2-oxopropanamide is sourced from PubChem (CID 20612546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).