4-methyl-N-prop-2-enoylpent-2-enamide

C9H13NO2 — CID 140774476

IUPAC4-methyl-N-prop-2-enoylpent-2-enamide
SMILESC=CC(=O)NC(=O)C=CC(C)C
InChIInChI=1S/C9H13NO2/c1-4-8(11)10-9(12)6-5-7(2)3/h4-7H,1H2,2-3H3,(H,10,11,12)
InChIKeyMNBCMQDWLKQIAK-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.03
Rot. Bonds3

About 4-methyl-N-prop-2-enoylpent-2-enamide

4-methyl-N-prop-2-enoylpent-2-enamide (PubChem CID 140774476) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-methyl-N-prop-2-enoylpent-2-enamide.

Molecular Properties

Compound Name4-methyl-N-prop-2-enoylpent-2-enamide
PubChem CID140774476
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name4-methyl-N-prop-2-enoylpent-2-enamide
SMILESC=CC(=O)NC(=O)C=CC(C)C
InChIInChI=1S/C9H13NO2/c1-4-8(11)10-9(12)6-5-7(2)3/h4-7H,1H2,2-3H3,(H,10,11,12)
InChIKeyMNBCMQDWLKQIAK-UHFFFAOYSA-N
XLogP1.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-methyl-N-prop-2-enoylpent-2-enamide?
The IUPAC name of 4-methyl-N-prop-2-enoylpent-2-enamide (CID 140774476) is 4-methyl-N-prop-2-enoylpent-2-enamide.
What is the SMILES notation for 4-methyl-N-prop-2-enoylpent-2-enamide?
The canonical SMILES for 4-methyl-N-prop-2-enoylpent-2-enamide is C=CC(=O)NC(=O)C=CC(C)C.
What is the InChIKey of 4-methyl-N-prop-2-enoylpent-2-enamide?
The InChIKey is MNBCMQDWLKQIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-4-8(11)10-9(12)6-5-7(2)3/h4-7H,1H2,2-3H3,(H,10,11,12).
What are the key properties of 4-methyl-N-prop-2-enoylpent-2-enamide?
4-methyl-N-prop-2-enoylpent-2-enamide has a molecular weight of 167.21 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-prop-2-enoylpent-2-enamide is sourced from PubChem (CID 140774476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).