N-hydroxy-2-methylidenepentanamide

C6H11NO2 — CID 22256183

IUPACN-hydroxy-2-methylidenepentanamide
SMILESC=C(CCC)C(=O)NO
InChIInChI=1S/C6H11NO2/c1-3-4-5(2)6(8)7-9/h9H,2-4H2,1H3,(H,7,8)
InChIKeyFVJQANWHHFRLGW-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.85
Rot. Bonds3

About N-hydroxy-2-methylidenepentanamide

N-hydroxy-2-methylidenepentanamide (PubChem CID 22256183) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is N-hydroxy-2-methylidenepentanamide.

Molecular Properties

Compound NameN-hydroxy-2-methylidenepentanamide
PubChem CID22256183
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC NameN-hydroxy-2-methylidenepentanamide
SMILESC=C(CCC)C(=O)NO
InChIInChI=1S/C6H11NO2/c1-3-4-5(2)6(8)7-9/h9H,2-4H2,1H3,(H,7,8)
InChIKeyFVJQANWHHFRLGW-UHFFFAOYSA-N
XLogP0.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.85
H-Bond Donors ≤ 52
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

azane;N-methyl-2-methylidenepentanamide
CID 174850650
4,5-dimethylideneoctane
CID 13294231
4-methylideneheptan-3-one
CID 13485259
2-methylidene-N-triethoxysilylpentanamide
CID 87640419
2-methylidenepentanoic acid;hydrate
CID 88770361
N-benzyl-2-methylidenepentanamide
CID 130015312
N-chloro-2-methylidenehexanamide
CID 91615542
N,N-bis(methylamino)-2-methylidenepentanamide;hydrochloride
CID 141246092
N-ethyl-2-methylidenehexanamide
CID 140513535
2-(2-methylidenepentanoylamino)ethyl hydrogen sulfate
CID 140572936
N'-ethyl-2-methylidenehexanehydrazide
CID 87503884
2-methylidene-N,N-di(propan-2-yl)pentanamide
CID 87269106

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-methylidenepentanamide?
The IUPAC name of N-hydroxy-2-methylidenepentanamide (CID 22256183) is N-hydroxy-2-methylidenepentanamide.
What is the SMILES notation for N-hydroxy-2-methylidenepentanamide?
The canonical SMILES for N-hydroxy-2-methylidenepentanamide is C=C(CCC)C(=O)NO.
What is the InChIKey of N-hydroxy-2-methylidenepentanamide?
The InChIKey is FVJQANWHHFRLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-3-4-5(2)6(8)7-9/h9H,2-4H2,1H3,(H,7,8).
What are the key properties of N-hydroxy-2-methylidenepentanamide?
N-hydroxy-2-methylidenepentanamide has a molecular weight of 129.16 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-methylidenepentanamide is sourced from PubChem (CID 22256183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).