2-methylidene-N-propan-2-ylpent-4-enamide

C9H15NO — CID 14418379

IUPAC2-methylidene-N-propan-2-ylpent-4-enamide
SMILESC=CCC(=C)C(=O)NC(C)C
InChIInChI=1S/C9H15NO/c1-5-6-8(4)9(11)10-7(2)3/h5,7H,1,4,6H2,2-3H3,(H,10,11)
InChIKeyUBRZXPCAVMMVDK-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.64
Rot. Bonds4

About 2-methylidene-N-propan-2-ylpent-4-enamide

2-methylidene-N-propan-2-ylpent-4-enamide (PubChem CID 14418379) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-methylidene-N-propan-2-ylpent-4-enamide.

Molecular Properties

Compound Name2-methylidene-N-propan-2-ylpent-4-enamide
PubChem CID14418379
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-methylidene-N-propan-2-ylpent-4-enamide
SMILESC=CCC(=C)C(=O)NC(C)C
InChIInChI=1S/C9H15NO/c1-5-6-8(4)9(11)10-7(2)3/h5,7H,1,4,6H2,2-3H3,(H,10,11)
InChIKeyUBRZXPCAVMMVDK-UHFFFAOYSA-N
XLogP1.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-N-propan-2-ylpent-4-enamide?
The IUPAC name of 2-methylidene-N-propan-2-ylpent-4-enamide (CID 14418379) is 2-methylidene-N-propan-2-ylpent-4-enamide.
What is the SMILES notation for 2-methylidene-N-propan-2-ylpent-4-enamide?
The canonical SMILES for 2-methylidene-N-propan-2-ylpent-4-enamide is C=CCC(=C)C(=O)NC(C)C.
What is the InChIKey of 2-methylidene-N-propan-2-ylpent-4-enamide?
The InChIKey is UBRZXPCAVMMVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-5-6-8(4)9(11)10-7(2)3/h5,7H,1,4,6H2,2-3H3,(H,10,11).
What are the key properties of 2-methylidene-N-propan-2-ylpent-4-enamide?
2-methylidene-N-propan-2-ylpent-4-enamide has a molecular weight of 153.22 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-N-propan-2-ylpent-4-enamide is sourced from PubChem (CID 14418379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).