2-methylbutanamide;oxaldehyde

C7H13NO3 — CID 90898555

IUPAC2-methylbutanamide;oxaldehyde
SMILESCCC(C)C(N)=O.O=CC=O
InChIInChI=1S/C5H11NO.C2H2O2/c1-3-4(2)5(6)7;3-1-2-4/h4H,3H2,1-2H3,(H2,6,7);1-2H
InChIKeyYFJZQKYUNSRELW-UHFFFAOYSA-N
MW159.19 g/mol
LogP-0.10
Rot. Bonds3

About 2-methylbutanamide;oxaldehyde

2-methylbutanamide;oxaldehyde (PubChem CID 90898555) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-methylbutanamide;oxaldehyde.

Molecular Properties

Compound Name2-methylbutanamide;oxaldehyde
PubChem CID90898555
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Name2-methylbutanamide;oxaldehyde
SMILESCCC(C)C(N)=O.O=CC=O
InChIInChI=1S/C5H11NO.C2H2O2/c1-3-4(2)5(6)7;3-1-2-4/h4H,3H2,1-2H3,(H2,6,7);1-2H
InChIKeyYFJZQKYUNSRELW-UHFFFAOYSA-N
XLogP-0.10
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methane;2-methylbutanamide
CID 158835184
methane;2-methylbutanamide;trimethyl(2-methylbutanoyloxymethyl)azanium
CID 160768810
3-(ethylamino)-2-methylpropanamide
CID 43311981
2-formamidobutanamide
CID 55291106
1-methylhenhectane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99-pentacontacarboxamide
CID 89449425
ethane;2-methylbutanamide;1,2,3,4-tetrahydronaphthalene
CID 144636496
5-amino-2-ethyl-4-methyl-5-oxopentanoic acid
CID 58612932
4-methyl-3-oxohexanamide
CID 91421150
2-methylhexanamide
CID 2828737
2-(2-amino-2-oxoethylidene)-3-methylpentanoic acid
CID 54203182
(E)-2-methylhex-4-enamide
CID 126589197
2-methyl-4,5-dioxoheptanamide
CID 19880553

Frequently Asked Questions

What is the IUPAC name of 2-methylbutanamide;oxaldehyde?
The IUPAC name of 2-methylbutanamide;oxaldehyde (CID 90898555) is 2-methylbutanamide;oxaldehyde.
What is the SMILES notation for 2-methylbutanamide;oxaldehyde?
The canonical SMILES for 2-methylbutanamide;oxaldehyde is CCC(C)C(N)=O.O=CC=O.
What is the InChIKey of 2-methylbutanamide;oxaldehyde?
The InChIKey is YFJZQKYUNSRELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.C2H2O2/c1-3-4(2)5(6)7;3-1-2-4/h4H,3H2,1-2H3,(H2,6,7);1-2H.
What are the key properties of 2-methylbutanamide;oxaldehyde?
2-methylbutanamide;oxaldehyde has a molecular weight of 159.19 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutanamide;oxaldehyde is sourced from PubChem (CID 90898555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).