N-cyclopenta-2,4-dien-1-yl-2-methylpent-2-enamide

C11H15NO — CID 171444689

IUPACN-cyclopenta-2,4-dien-1-yl-2-methylpent-2-enamide
SMILESCCC=C(C)C(=O)NC1C=CC=C1
InChIInChI=1S/C11H15NO/c1-3-6-9(2)11(13)12-10-7-4-5-8-10/h4-8,10H,3H2,1-2H3,(H,12,13)
InChIKeyAHSHNCOMJRUGNC-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.95
Rot. Bonds3

About N-cyclopenta-2,4-dien-1-yl-2-methylpent-2-enamide

N-cyclopenta-2,4-dien-1-yl-2-methylpent-2-enamide (PubChem CID 171444689) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is N-cyclopenta-2,4-dien-1-yl-2-methylpent-2-enamide.

Molecular Properties

Compound NameN-cyclopenta-2,4-dien-1-yl-2-methylpent-2-enamide
PubChem CID171444689
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC NameN-cyclopenta-2,4-dien-1-yl-2-methylpent-2-enamide
SMILESCCC=C(C)C(=O)NC1C=CC=C1
InChIInChI=1S/C11H15NO/c1-3-6-9(2)11(13)12-10-7-4-5-8-10/h4-8,10H,3H2,1-2H3,(H,12,13)
InChIKeyAHSHNCOMJRUGNC-UHFFFAOYSA-N
XLogP1.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopenta-2,4-dien-1-yl-2-methylpent-2-enamide?
The IUPAC name of N-cyclopenta-2,4-dien-1-yl-2-methylpent-2-enamide (CID 171444689) is N-cyclopenta-2,4-dien-1-yl-2-methylpent-2-enamide.
What is the SMILES notation for N-cyclopenta-2,4-dien-1-yl-2-methylpent-2-enamide?
The canonical SMILES for N-cyclopenta-2,4-dien-1-yl-2-methylpent-2-enamide is CCC=C(C)C(=O)NC1C=CC=C1.
What is the InChIKey of N-cyclopenta-2,4-dien-1-yl-2-methylpent-2-enamide?
The InChIKey is AHSHNCOMJRUGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-3-6-9(2)11(13)12-10-7-4-5-8-10/h4-8,10H,3H2,1-2H3,(H,12,13).
What are the key properties of N-cyclopenta-2,4-dien-1-yl-2-methylpent-2-enamide?
N-cyclopenta-2,4-dien-1-yl-2-methylpent-2-enamide has a molecular weight of 177.25 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopenta-2,4-dien-1-yl-2-methylpent-2-enamide is sourced from PubChem (CID 171444689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).