2-cyclopenta-1,3-dien-1-yl-2-methylpropanamide

C9H13NO — CID 22107352

IUPAC2-cyclopenta-1,3-dien-1-yl-2-methylpropanamide
SMILESCC(C)(C(N)=O)C1=CC=CC1
InChIInChI=1S/C9H13NO/c1-9(2,8(10)11)7-5-3-4-6-7/h3-5H,6H2,1-2H3,(H2,10,11)
InChIKeyOUYLWHFQHINCBL-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.38
Rot. Bonds2

About 2-cyclopenta-1,3-dien-1-yl-2-methylpropanamide

2-cyclopenta-1,3-dien-1-yl-2-methylpropanamide (PubChem CID 22107352) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-cyclopenta-1,3-dien-1-yl-2-methylpropanamide.

Molecular Properties

Compound Name2-cyclopenta-1,3-dien-1-yl-2-methylpropanamide
PubChem CID22107352
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name2-cyclopenta-1,3-dien-1-yl-2-methylpropanamide
SMILESCC(C)(C(N)=O)C1=CC=CC1
InChIInChI=1S/C9H13NO/c1-9(2,8(10)11)7-5-3-4-6-7/h3-5H,6H2,1-2H3,(H2,10,11)
InChIKeyOUYLWHFQHINCBL-UHFFFAOYSA-N
XLogP1.38
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopenta-1,3-dien-1-yl-2-methylpropanamide?
The IUPAC name of 2-cyclopenta-1,3-dien-1-yl-2-methylpropanamide (CID 22107352) is 2-cyclopenta-1,3-dien-1-yl-2-methylpropanamide.
What is the SMILES notation for 2-cyclopenta-1,3-dien-1-yl-2-methylpropanamide?
The canonical SMILES for 2-cyclopenta-1,3-dien-1-yl-2-methylpropanamide is CC(C)(C(N)=O)C1=CC=CC1.
What is the InChIKey of 2-cyclopenta-1,3-dien-1-yl-2-methylpropanamide?
The InChIKey is OUYLWHFQHINCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-9(2,8(10)11)7-5-3-4-6-7/h3-5H,6H2,1-2H3,(H2,10,11).
What are the key properties of 2-cyclopenta-1,3-dien-1-yl-2-methylpropanamide?
2-cyclopenta-1,3-dien-1-yl-2-methylpropanamide has a molecular weight of 151.21 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-1,3-dien-1-yl-2-methylpropanamide is sourced from PubChem (CID 22107352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).