N-hydroxy-N-methyl-2-methylidenebutanamide

C6H11NO2 — CID 22624762

IUPACN-hydroxy-N-methyl-2-methylidenebutanamide
SMILESC=C(CC)C(=O)N(C)O
InChIInChI=1S/C6H11NO2/c1-4-5(2)6(8)7(3)9/h9H,2,4H2,1,3H3
InChIKeyBZPHVNNFASRCJR-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.80
Rot. Bonds2

About N-hydroxy-N-methyl-2-methylidenebutanamide

N-hydroxy-N-methyl-2-methylidenebutanamide (PubChem CID 22624762) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is N-hydroxy-N-methyl-2-methylidenebutanamide.

Molecular Properties

Compound NameN-hydroxy-N-methyl-2-methylidenebutanamide
PubChem CID22624762
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC NameN-hydroxy-N-methyl-2-methylidenebutanamide
SMILESC=C(CC)C(=O)N(C)O
InChIInChI=1S/C6H11NO2/c1-4-5(2)6(8)7(3)9/h9H,2,4H2,1,3H3
InChIKeyBZPHVNNFASRCJR-UHFFFAOYSA-N
XLogP0.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-bis(methylamino)-2-methylidenebutanamide
CID 141246091
N,N-dimethylmethanamine;2-methylidenebutanamide
CID 87072562
potassium 2-methylidenebutanoate
CID 87611079
carbonic acid;2-methylidenebutanoic acid;hydrofluoride
CID 87502083
lithium;hydride;2-methylidenebutanoic acid
CID 174729708
bis(N,N-dimethylmethanamine);bis(2-methylidenebutanoic acid);2-methylidenepentanoic acid;hydrochloride
CID 173194624
N-methyl-N-(3-methylidenepent-1-en-2-yl)formamide
CID 167513488
hydron;methyl 2-methylidenebutanoate
CID 174760127
(2H)chlorane;2-methylidenebutanoic acid
CID 159149807
methyl 2-methylidenebutanoate;propan-2-one
CID 174771904
N-but-1-en-2-yl-N-methylpropanamide
CID 59841328
2-(iodomethyl)-N,N-dimethylprop-2-enamide
CID 11843066

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-methyl-2-methylidenebutanamide?
The IUPAC name of N-hydroxy-N-methyl-2-methylidenebutanamide (CID 22624762) is N-hydroxy-N-methyl-2-methylidenebutanamide.
What is the SMILES notation for N-hydroxy-N-methyl-2-methylidenebutanamide?
The canonical SMILES for N-hydroxy-N-methyl-2-methylidenebutanamide is C=C(CC)C(=O)N(C)O.
What is the InChIKey of N-hydroxy-N-methyl-2-methylidenebutanamide?
The InChIKey is BZPHVNNFASRCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-4-5(2)6(8)7(3)9/h9H,2,4H2,1,3H3.
What are the key properties of N-hydroxy-N-methyl-2-methylidenebutanamide?
N-hydroxy-N-methyl-2-methylidenebutanamide has a molecular weight of 129.16 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-methyl-2-methylidenebutanamide is sourced from PubChem (CID 22624762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).