pentane;prop-2-enamide

C8H17NO — CID 139391622

IUPACpentane;prop-2-enamide
SMILESC=CC(N)=O.CCCCC
InChIInChI=1S/C5H12.C3H5NO/c1-3-5-4-2;1-2-3(4)5/h3-5H2,1-2H3;2H,1H2,(H2,4,5)
InChIKeyIEDFUUBFZZIPIH-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.85
Rot. Bonds3

About pentane;prop-2-enamide

pentane;prop-2-enamide (PubChem CID 139391622) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is pentane;prop-2-enamide.

Molecular Properties

Compound Namepentane;prop-2-enamide
PubChem CID139391622
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Namepentane;prop-2-enamide
SMILESC=CC(N)=O.CCCCC
InChIInChI=1S/C5H12.C3H5NO/c1-3-5-4-2;1-2-3(4)5/h3-5H2,1-2H3;2H,1H2,(H2,4,5)
InChIKeyIEDFUUBFZZIPIH-UHFFFAOYSA-N
XLogP1.85
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze pentane;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

Related Compounds

decan-1-amine;prop-2-enamide
CID 162009588
CID 172708986
CID 172708986
butyl carbamate;prop-2-enamide
CID 174431220
N-ethylbutan-1-amine;prop-2-enamide
CID 158418621
butane;phosphoric acid;prop-2-enamide
CID 159316874
pentyl prop-2-enoate;prop-2-enamide
CID 175210545
N-pentylpentan-1-amine;prop-2-enamide;prop-2-enoic acid;hydrochloride
CID 173494842
prop-2-enamide;tetraethylazanium
CID 160757497
methanamine;prop-2-enamide;hydrate
CID 174696935
acetamide;prop-2-enamide
CID 158566181
N,N-dimethylpropan-1-amine;bis(prop-2-enamide)
CID 158610265
CID 161294339
CID 161294339

Frequently Asked Questions

What is the IUPAC name of pentane;prop-2-enamide?
The IUPAC name of pentane;prop-2-enamide (CID 139391622) is pentane;prop-2-enamide.
What is the SMILES notation for pentane;prop-2-enamide?
The canonical SMILES for pentane;prop-2-enamide is C=CC(N)=O.CCCCC.
What is the InChIKey of pentane;prop-2-enamide?
The InChIKey is IEDFUUBFZZIPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.C3H5NO/c1-3-5-4-2;1-2-3(4)5/h3-5H2,1-2H3;2H,1H2,(H2,4,5).
What are the key properties of pentane;prop-2-enamide?
pentane;prop-2-enamide has a molecular weight of 143.23 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentane;prop-2-enamide is sourced from PubChem (CID 139391622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).