3-methyl-N-prop-2-enylpent-4-enamide

C9H15NO — CID 134872335

IUPAC3-methyl-N-prop-2-enylpent-4-enamide
SMILESC=CCNC(=O)CC(C)C=C
InChIInChI=1S/C9H15NO/c1-4-6-10-9(11)7-8(3)5-2/h4-5,8H,1-2,6-7H2,3H3,(H,10,11)
InChIKeyUPKDDYZNKVYBBO-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.50
Rot. Bonds5

About 3-methyl-N-prop-2-enylpent-4-enamide

3-methyl-N-prop-2-enylpent-4-enamide (PubChem CID 134872335) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 3-methyl-N-prop-2-enylpent-4-enamide.

Molecular Properties

Compound Name3-methyl-N-prop-2-enylpent-4-enamide
PubChem CID134872335
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name3-methyl-N-prop-2-enylpent-4-enamide
SMILESC=CCNC(=O)CC(C)C=C
InChIInChI=1S/C9H15NO/c1-4-6-10-9(11)7-8(3)5-2/h4-5,8H,1-2,6-7H2,3H3,(H,10,11)
InChIKeyUPKDDYZNKVYBBO-UHFFFAOYSA-N
XLogP1.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-prop-2-enylpent-4-enamide?
The IUPAC name of 3-methyl-N-prop-2-enylpent-4-enamide (CID 134872335) is 3-methyl-N-prop-2-enylpent-4-enamide.
What is the SMILES notation for 3-methyl-N-prop-2-enylpent-4-enamide?
The canonical SMILES for 3-methyl-N-prop-2-enylpent-4-enamide is C=CCNC(=O)CC(C)C=C.
What is the InChIKey of 3-methyl-N-prop-2-enylpent-4-enamide?
The InChIKey is UPKDDYZNKVYBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-4-6-10-9(11)7-8(3)5-2/h4-5,8H,1-2,6-7H2,3H3,(H,10,11).
What are the key properties of 3-methyl-N-prop-2-enylpent-4-enamide?
3-methyl-N-prop-2-enylpent-4-enamide has a molecular weight of 153.22 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-prop-2-enylpent-4-enamide is sourced from PubChem (CID 134872335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).