4-oxo-N-prop-2-ynylpentanamide

C8H11NO2 — CID 60646238

IUPAC4-oxo-N-prop-2-ynylpentanamide
SMILESC#CCNC(=O)CCC(C)=O
InChIInChI=1S/C8H11NO2/c1-3-6-9-8(11)5-4-7(2)10/h1H,4-6H2,2H3,(H,9,11)
InChIKeyMUEKCMPRHIKFOK-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.10
Rot. Bonds4

About 4-oxo-N-prop-2-ynylpentanamide

4-oxo-N-prop-2-ynylpentanamide (PubChem CID 60646238) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 4-oxo-N-prop-2-ynylpentanamide.

Molecular Properties

Compound Name4-oxo-N-prop-2-ynylpentanamide
PubChem CID60646238
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name4-oxo-N-prop-2-ynylpentanamide
SMILESC#CCNC(=O)CCC(C)=O
InChIInChI=1S/C8H11NO2/c1-3-6-9-8(11)5-4-7(2)10/h1H,4-6H2,2H3,(H,9,11)
InChIKeyMUEKCMPRHIKFOK-UHFFFAOYSA-N
XLogP0.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-N'-prop-2-ynylbutanediamide
CID 163636488
4-amino-N-prop-2-ynylbutanamide
CID 24695167
6-oxo-6-(prop-2-ynylamino)hexanoic acid
CID 43529221
methane;N-prop-2-ynylbutanamide;N-prop-2-ynylpropanamide
CID 158389434
N-prop-2-ynyl-11-sulfanylundecanamide
CID 102527200
N,N'-bis(prop-2-ynyl)octadec-9-enediamide
CID 90949780
2-amino-N-prop-2-ynylacetamide;hydrochloride
CID 47002635
N,N'-bis(prop-2-ynyl)icos-10-enediamide;ethane
CID 143956023
4-methyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pentanamide
CID 49396489
3-cyclopentyl-N-prop-2-ynylpropanamide
CID 60646217
2-iodo-N-prop-2-ynylpropanamide
CID 64789120
hexane-2,5-dione
CID 8035

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-prop-2-ynylpentanamide?
The IUPAC name of 4-oxo-N-prop-2-ynylpentanamide (CID 60646238) is 4-oxo-N-prop-2-ynylpentanamide.
What is the SMILES notation for 4-oxo-N-prop-2-ynylpentanamide?
The canonical SMILES for 4-oxo-N-prop-2-ynylpentanamide is C#CCNC(=O)CCC(C)=O.
What is the InChIKey of 4-oxo-N-prop-2-ynylpentanamide?
The InChIKey is MUEKCMPRHIKFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-3-6-9-8(11)5-4-7(2)10/h1H,4-6H2,2H3,(H,9,11).
What are the key properties of 4-oxo-N-prop-2-ynylpentanamide?
4-oxo-N-prop-2-ynylpentanamide has a molecular weight of 153.18 g/mol, XLogP of 0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-prop-2-ynylpentanamide is sourced from PubChem (CID 60646238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).