(E)-2-methyl-N-propylpent-2-enamide

C9H17NO — CID 14751175

IUPAC(E)-2-methyl-N-propylpent-2-enamide
SMILESCC/C=C(\C)C(=O)NCCC
InChIInChI=1S/C9H17NO/c1-4-6-8(3)9(11)10-7-5-2/h6H,4-5,7H2,1-3H3,(H,10,11)/b8-6+
InChIKeyHSVPOLXOSWYDLI-SOFGYWHQSA-N
MW155.24 g/mol
LogP1.87
Rot. Bonds4

About (E)-2-methyl-N-propylpent-2-enamide

(E)-2-methyl-N-propylpent-2-enamide (PubChem CID 14751175) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (E)-2-methyl-N-propylpent-2-enamide.

Molecular Properties

Compound Name(E)-2-methyl-N-propylpent-2-enamide
PubChem CID14751175
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(E)-2-methyl-N-propylpent-2-enamide
SMILESCC/C=C(\C)C(=O)NCCC
InChIInChI=1S/C9H17NO/c1-4-6-8(3)9(11)10-7-5-2/h6H,4-5,7H2,1-3H3,(H,10,11)/b8-6+
InChIKeyHSVPOLXOSWYDLI-SOFGYWHQSA-N
XLogP1.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.87
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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Related Compounds

Spilanthol
CID 5353001
N-Isobutyl-2,4,8,10,12-tetradecapentaenamide
CID 5318518
Dodeca-2E,4E,8Z,10Z-Tetraenoic Acid Isobutylamide
CID 11413953
N-Ethylnona-2,6-dienamide
CID 57351458
(2E,6Z)-N-ethylnona-2,6-dienamide
CID 11309884
(2E,4E,8Z,10E)-N-(2-methylpropyl)dodeca-2,4,8,10-tetraenamide
CID 6440539
8,9-Dehydropellitorine
CID 14427412
Dodeca-2E,4E,8Z-Trienoic Acid Isobutylamide
CID 15609890
(2E,4E,8E,10Z)-N-(2-methylpropyl)dodeca-2,4,8,10-tetraenamide
CID 12315250
Herculin
CID 5318023
N-(2-Methylpropyl)-2,6,8-decatrienamide
CID 530394
2,4-Octadienamide, N-(2-methylpropyl)-, (E,E)-
CID 6479668

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-N-propylpent-2-enamide?
The IUPAC name of (E)-2-methyl-N-propylpent-2-enamide (CID 14751175) is (E)-2-methyl-N-propylpent-2-enamide.
What is the SMILES notation for (E)-2-methyl-N-propylpent-2-enamide?
The canonical SMILES for (E)-2-methyl-N-propylpent-2-enamide is CC/C=C(\C)C(=O)NCCC.
What is the InChIKey of (E)-2-methyl-N-propylpent-2-enamide?
The InChIKey is HSVPOLXOSWYDLI-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-6-8(3)9(11)10-7-5-2/h6H,4-5,7H2,1-3H3,(H,10,11)/b8-6+.
What are the key properties of (E)-2-methyl-N-propylpent-2-enamide?
(E)-2-methyl-N-propylpent-2-enamide has a molecular weight of 155.24 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-N-propylpent-2-enamide is sourced from PubChem (CID 14751175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).