N-[(3S)-3-methylpent-4-enyl]propanamide

C9H17NO — CID 138511725

IUPACN-[(3S)-3-methylpent-4-enyl]propanamide
SMILESC=C[C@@H](C)CCNC(=O)CC
InChIInChI=1S/C9H17NO/c1-4-8(3)6-7-10-9(11)5-2/h4,8H,1,5-7H2,2-3H3,(H,10,11)/t8-/m1/s1
InChIKeyMCGAUQMHDCAXDK-MRVPVSSYSA-N
MW155.24 g/mol
LogP1.72
Rot. Bonds5

About N-[(3S)-3-methylpent-4-enyl]propanamide

N-[(3S)-3-methylpent-4-enyl]propanamide (PubChem CID 138511725) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-[(3S)-3-methylpent-4-enyl]propanamide.

Molecular Properties

Compound NameN-[(3S)-3-methylpent-4-enyl]propanamide
PubChem CID138511725
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-[(3S)-3-methylpent-4-enyl]propanamide
SMILESC=C[C@@H](C)CCNC(=O)CC
InChIInChI=1S/C9H17NO/c1-4-8(3)6-7-10-9(11)5-2/h4,8H,1,5-7H2,2-3H3,(H,10,11)/t8-/m1/s1
InChIKeyMCGAUQMHDCAXDK-MRVPVSSYSA-N
XLogP1.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(3S)-3-methylpent-4-enyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methylpentyl)propanamide
CID 54140551
N,4-dimethylhex-5-enamide
CID 155715427
carbonic acid;3-methylhex-1-ene
CID 161181273
N-(4-hydroxypentyl)propanamide
CID 107299540
[(2R)-4-(propanoylamino)butan-2-yl] acetate
CID 139456359
N-[3-(prop-2-enoylamino)propyl]propanamide
CID 45119504
N-(5,6-dihydroxy-3-methylhexyl)propanamide
CID 170744814
N-(6-hydroxyheptyl)propanamide
CID 91284740
ethane;methane;N-[5-(propanoylamino)hexyl]propanamide
CID 159658097
N-(5-methyl-6-oxoheptyl)propanamide
CID 76588295
N-hex-1-en-3-ylpropanamide
CID 54131480
N-(2-phosphanylethyl)propanamide
CID 146644677

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-methylpent-4-enyl]propanamide?
The IUPAC name of N-[(3S)-3-methylpent-4-enyl]propanamide (CID 138511725) is N-[(3S)-3-methylpent-4-enyl]propanamide.
What is the SMILES notation for N-[(3S)-3-methylpent-4-enyl]propanamide?
The canonical SMILES for N-[(3S)-3-methylpent-4-enyl]propanamide is C=C[C@@H](C)CCNC(=O)CC.
What is the InChIKey of N-[(3S)-3-methylpent-4-enyl]propanamide?
The InChIKey is MCGAUQMHDCAXDK-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-8(3)6-7-10-9(11)5-2/h4,8H,1,5-7H2,2-3H3,(H,10,11)/t8-/m1/s1.
What are the key properties of N-[(3S)-3-methylpent-4-enyl]propanamide?
N-[(3S)-3-methylpent-4-enyl]propanamide has a molecular weight of 155.24 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-methylpent-4-enyl]propanamide is sourced from PubChem (CID 138511725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).