N-(3-methyl-2-oxobutyl)formamide

C6H11NO2 — CID 64997253

IUPACN-(3-methyl-2-oxobutyl)formamide
SMILESCC(C)C(=O)CNC=O
InChIInChI=1S/C6H11NO2/c1-5(2)6(9)3-7-4-8/h4-5H,3H2,1-2H3,(H,7,8)
InChIKeyYFRCPOBUJQXLIE-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.04
Rot. Bonds4

About N-(3-methyl-2-oxobutyl)formamide

N-(3-methyl-2-oxobutyl)formamide (PubChem CID 64997253) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is N-(3-methyl-2-oxobutyl)formamide.

Molecular Properties

Compound NameN-(3-methyl-2-oxobutyl)formamide
PubChem CID64997253
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC NameN-(3-methyl-2-oxobutyl)formamide
SMILESCC(C)C(=O)CNC=O
InChIInChI=1S/C6H11NO2/c1-5(2)6(9)3-7-4-8/h4-5H,3H2,1-2H3,(H,7,8)
InChIKeyYFRCPOBUJQXLIE-UHFFFAOYSA-N
XLogP-0.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-oxobutyl)formamide?
The IUPAC name of N-(3-methyl-2-oxobutyl)formamide (CID 64997253) is N-(3-methyl-2-oxobutyl)formamide.
What is the SMILES notation for N-(3-methyl-2-oxobutyl)formamide?
The canonical SMILES for N-(3-methyl-2-oxobutyl)formamide is CC(C)C(=O)CNC=O.
What is the InChIKey of N-(3-methyl-2-oxobutyl)formamide?
The InChIKey is YFRCPOBUJQXLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-5(2)6(9)3-7-4-8/h4-5H,3H2,1-2H3,(H,7,8).
What are the key properties of N-(3-methyl-2-oxobutyl)formamide?
N-(3-methyl-2-oxobutyl)formamide has a molecular weight of 129.16 g/mol, XLogP of -0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-oxobutyl)formamide is sourced from PubChem (CID 64997253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).