N-(3-oxobutanoyl)pentanamide

C9H15NO3 — CID 86030828

IUPACN-(3-oxobutanoyl)pentanamide
SMILESCCCCC(=O)NC(=O)CC(C)=O
InChIInChI=1S/C9H15NO3/c1-3-4-5-8(12)10-9(13)6-7(2)11/h3-6H2,1-2H3,(H,10,12,13)
InChIKeyUFCAKVOMENGOGM-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.80
Rot. Bonds5

About N-(3-oxobutanoyl)pentanamide

N-(3-oxobutanoyl)pentanamide (PubChem CID 86030828) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is N-(3-oxobutanoyl)pentanamide.

Molecular Properties

Compound NameN-(3-oxobutanoyl)pentanamide
PubChem CID86030828
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC NameN-(3-oxobutanoyl)pentanamide
SMILESCCCCC(=O)NC(=O)CC(C)=O
InChIInChI=1S/C9H15NO3/c1-3-4-5-8(12)10-9(13)6-7(2)11/h3-6H2,1-2H3,(H,10,12,13)
InChIKeyUFCAKVOMENGOGM-UHFFFAOYSA-N
XLogP0.80
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-decanoyldecanamide
CID 87914075
N-octanoyloctanamide;hydrobromide
CID 175059894
N-(acetylcarbamoyl)pentanamide
CID 57354637
N-acetylundecanamide
CID 18949728
pentane;pentane-2,4-dione
CID 91463121
cobalt(2+);octane-2,4-dione
CID 22152476
N-(bromocarbamoyl)pentanamide
CID 101382986
2-(pentanoylamino)prop-2-enoic acid
CID 87954179
N-[(2Z)-penta-2,4-dien-2-yl]pentanamide
CID 134525821
N-butyl-3-oxobutanamide
CID 5161533
N-prop-1-en-2-ylheptanamide
CID 89354267
ethene;hexan-2-one
CID 88765599

Frequently Asked Questions

What is the IUPAC name of N-(3-oxobutanoyl)pentanamide?
The IUPAC name of N-(3-oxobutanoyl)pentanamide (CID 86030828) is N-(3-oxobutanoyl)pentanamide.
What is the SMILES notation for N-(3-oxobutanoyl)pentanamide?
The canonical SMILES for N-(3-oxobutanoyl)pentanamide is CCCCC(=O)NC(=O)CC(C)=O.
What is the InChIKey of N-(3-oxobutanoyl)pentanamide?
The InChIKey is UFCAKVOMENGOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-3-4-5-8(12)10-9(13)6-7(2)11/h3-6H2,1-2H3,(H,10,12,13).
What are the key properties of N-(3-oxobutanoyl)pentanamide?
N-(3-oxobutanoyl)pentanamide has a molecular weight of 185.22 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxobutanoyl)pentanamide is sourced from PubChem (CID 86030828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).