N-cyclopenta-1,3-dien-1-ylpropanamide

C8H11NO — CID 58065569

IUPACN-cyclopenta-1,3-dien-1-ylpropanamide
SMILESCCC(=O)NC1=CC=CC1
InChIInChI=1S/C8H11NO/c1-2-8(10)9-7-5-3-4-6-7/h3-5H,2,6H2,1H3,(H,9,10)
InChIKeyPDKVCGFLKJYGHN-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.36
Rot. Bonds2

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

N-cyclopenta-1,3-dien-1-ylpropanamide (PubChem CID 58065569) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is N-cyclopenta-1,3-dien-1-ylpropanamide.

Molecular Properties

Compound NameN-cyclopenta-1,3-dien-1-ylpropanamide
PubChem CID58065569
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC NameN-cyclopenta-1,3-dien-1-ylpropanamide
SMILESCCC(=O)NC1=CC=CC1
InChIInChI=1S/C8H11NO/c1-2-8(10)9-7-5-3-4-6-7/h3-5H,2,6H2,1H3,(H,9,10)
InChIKeyPDKVCGFLKJYGHN-UHFFFAOYSA-N
XLogP1.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.36
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-ylpropanamide?
The IUPAC name of N-cyclopenta-1,3-dien-1-ylpropanamide (CID 58065569) is N-cyclopenta-1,3-dien-1-ylpropanamide.
What is the SMILES notation for N-cyclopenta-1,3-dien-1-ylpropanamide?
The canonical SMILES for N-cyclopenta-1,3-dien-1-ylpropanamide is CCC(=O)NC1=CC=CC1.
What is the InChIKey of N-cyclopenta-1,3-dien-1-ylpropanamide?
The InChIKey is PDKVCGFLKJYGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-2-8(10)9-7-5-3-4-6-7/h3-5H,2,6H2,1H3,(H,9,10).
What are the key properties of N-cyclopenta-1,3-dien-1-ylpropanamide?
N-cyclopenta-1,3-dien-1-ylpropanamide has a molecular weight of 137.18 g/mol, XLogP of 1.36, 2 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-ylpropanamide is sourced from PubChem (CID 58065569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).