N-[3-(prop-2-enoylamino)butyl]prop-2-enamide

C10H16N2O2 — CID 19891107

IUPACN-[3-(prop-2-enoylamino)butyl]prop-2-enamide
SMILESC=CC(=O)NCCC(C)NC(=O)C=C
InChIInChI=1S/C10H16N2O2/c1-4-9(13)11-7-6-8(3)12-10(14)5-2/h4-5,8H,1-2,6-7H2,3H3,(H,11,13)(H,12,14)
InChIKeyNBOQJGPGICOOMK-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.37
Rot. Bonds6

About N-[3-(prop-2-enoylamino)butyl]prop-2-enamide

N-[3-(prop-2-enoylamino)butyl]prop-2-enamide (PubChem CID 19891107) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is N-[3-(prop-2-enoylamino)butyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-(prop-2-enoylamino)butyl]prop-2-enamide
PubChem CID19891107
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC NameN-[3-(prop-2-enoylamino)butyl]prop-2-enamide
SMILESC=CC(=O)NCCC(C)NC(=O)C=C
InChIInChI=1S/C10H16N2O2/c1-4-9(13)11-7-6-8(3)12-10(14)5-2/h4-5,8H,1-2,6-7H2,3H3,(H,11,13)(H,12,14)
InChIKeyNBOQJGPGICOOMK-UHFFFAOYSA-N
XLogP0.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[3-(prop-2-enoylamino)butyl]prop-2-enamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(prop-2-enoylamino)butyl]prop-2-enamide?
The IUPAC name of N-[3-(prop-2-enoylamino)butyl]prop-2-enamide (CID 19891107) is N-[3-(prop-2-enoylamino)butyl]prop-2-enamide.
What is the SMILES notation for N-[3-(prop-2-enoylamino)butyl]prop-2-enamide?
The canonical SMILES for N-[3-(prop-2-enoylamino)butyl]prop-2-enamide is C=CC(=O)NCCC(C)NC(=O)C=C.
What is the InChIKey of N-[3-(prop-2-enoylamino)butyl]prop-2-enamide?
The InChIKey is NBOQJGPGICOOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-4-9(13)11-7-6-8(3)12-10(14)5-2/h4-5,8H,1-2,6-7H2,3H3,(H,11,13)(H,12,14).
What are the key properties of N-[3-(prop-2-enoylamino)butyl]prop-2-enamide?
N-[3-(prop-2-enoylamino)butyl]prop-2-enamide has a molecular weight of 196.25 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(prop-2-enoylamino)butyl]prop-2-enamide is sourced from PubChem (CID 19891107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).