4-(prop-2-enoylamino)butanamide

C7H12N2O2 — CID 60864661

IUPAC4-(prop-2-enoylamino)butanamide
SMILESC=CC(=O)NCCCC(N)=O
InChIInChI=1S/C7H12N2O2/c1-2-7(11)9-5-3-4-6(8)10/h2H,1,3-5H2,(H2,8,10)(H,9,11)
InChIKeyCGPULCLWTPNBSV-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.45
Rot. Bonds5

About 4-(prop-2-enoylamino)butanamide

4-(prop-2-enoylamino)butanamide (PubChem CID 60864661) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 4-(prop-2-enoylamino)butanamide.

Molecular Properties

Compound Name4-(prop-2-enoylamino)butanamide
PubChem CID60864661
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name4-(prop-2-enoylamino)butanamide
SMILESC=CC(=O)NCCCC(N)=O
InChIInChI=1S/C7H12N2O2/c1-2-7(11)9-5-3-4-6(8)10/h2H,1,3-5H2,(H2,8,10)(H,9,11)
InChIKeyCGPULCLWTPNBSV-UHFFFAOYSA-N
XLogP-0.45
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(prop-2-enoylamino)butanamide 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-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
N-[12-(prop-2-enoylamino)dodecyl]prop-2-enamide;N-[9-(prop-2-enoylamino)nonyl]prop-2-enamide
CID 159527537
N-(3-hydroxypropyl)prop-2-enamide
CID 87194577
N-(4-aminobutyl)prop-2-enamide;hydrochloride
CID 19429106
15-(prop-2-enoylamino)pentadecanoic acid
CID 71528159
N-(3-aminopropyl)prop-2-enamide;chloromethane
CID 126509380
N-[3-[3-(prop-2-enoylamino)propoxy]propyl]prop-2-enamide
CID 58402359
N-butylprop-2-enamide;hydrofluoride
CID 174533496
butyl 4-(prop-2-enoylamino)butanoate
CID 170269473
CID 131887558
CID 131887558
acetic acid;N-(3-aminopropyl)prop-2-enamide
CID 173132431
N-[3-[4-[3-(prop-2-enoylamino)propoxy]butoxy]propyl]prop-2-enamide
CID 11522493

Frequently Asked Questions

What is the IUPAC name of 4-(prop-2-enoylamino)butanamide?
The IUPAC name of 4-(prop-2-enoylamino)butanamide (CID 60864661) is 4-(prop-2-enoylamino)butanamide.
What is the SMILES notation for 4-(prop-2-enoylamino)butanamide?
The canonical SMILES for 4-(prop-2-enoylamino)butanamide is C=CC(=O)NCCCC(N)=O.
What is the InChIKey of 4-(prop-2-enoylamino)butanamide?
The InChIKey is CGPULCLWTPNBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-2-7(11)9-5-3-4-6(8)10/h2H,1,3-5H2,(H2,8,10)(H,9,11).
What are the key properties of 4-(prop-2-enoylamino)butanamide?
4-(prop-2-enoylamino)butanamide has a molecular weight of 156.19 g/mol, XLogP of -0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(prop-2-enoylamino)butanamide is sourced from PubChem (CID 60864661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).