N-cyclopenta-1,3-dien-1-ylacetamide

C7H9NO — CID 12826870

IUPACN-cyclopenta-1,3-dien-1-ylacetamide
SMILESCC(=O)NC1=CC=CC1
InChIInChI=1S/C7H9NO/c1-6(9)8-7-4-2-3-5-7/h2-4H,5H2,1H3,(H,8,9)
InChIKeyAWMHDWWDOHOJOR-UHFFFAOYSA-N
MW123.15 g/mol
LogP0.97
Rot. Bonds1

About N-cyclopenta-1,3-dien-1-ylacetamide

N-cyclopenta-1,3-dien-1-ylacetamide (PubChem CID 12826870) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is N-cyclopenta-1,3-dien-1-ylacetamide.

Molecular Properties

Compound NameN-cyclopenta-1,3-dien-1-ylacetamide
PubChem CID12826870
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC NameN-cyclopenta-1,3-dien-1-ylacetamide
SMILESCC(=O)NC1=CC=CC1
InChIInChI=1S/C7H9NO/c1-6(9)8-7-4-2-3-5-7/h2-4H,5H2,1H3,(H,8,9)
InChIKeyAWMHDWWDOHOJOR-UHFFFAOYSA-N
XLogP0.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclopenta-1,3-dien-1-ylacetamide?
The IUPAC name of N-cyclopenta-1,3-dien-1-ylacetamide (CID 12826870) is N-cyclopenta-1,3-dien-1-ylacetamide.
What is the SMILES notation for N-cyclopenta-1,3-dien-1-ylacetamide?
The canonical SMILES for N-cyclopenta-1,3-dien-1-ylacetamide is CC(=O)NC1=CC=CC1.
What is the InChIKey of N-cyclopenta-1,3-dien-1-ylacetamide?
The InChIKey is AWMHDWWDOHOJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-6(9)8-7-4-2-3-5-7/h2-4H,5H2,1H3,(H,8,9).
What are the key properties of N-cyclopenta-1,3-dien-1-ylacetamide?
N-cyclopenta-1,3-dien-1-ylacetamide has a molecular weight of 123.15 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopenta-1,3-dien-1-ylacetamide is sourced from PubChem (CID 12826870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).