(NE)-N-[(2S)-2-methylbutylidene]hydroxylamine

C5H11NO — CID 12917320

IUPAC(NE)-N-[(2S)-2-methylbutylidene]hydroxylamine
SMILESCC[C@H](C)/C=N/O
InChIInChI=1S/C5H11NO/c1-3-5(2)4-6-7/h4-5,7H,3H2,1-2H3/b6-4+/t5-/m0/s1
InChIKeySEWWFHKIKWFJNV-WHEKYOLUSA-N
MW101.15 g/mol
LogP1.49
Rot. Bonds2

About (NE)-N-[(2S)-2-methylbutylidene]hydroxylamine

(NE)-N-[(2S)-2-methylbutylidene]hydroxylamine (PubChem CID 12917320) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is (NE)-N-[(2S)-2-methylbutylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2S)-2-methylbutylidene]hydroxylamine
PubChem CID12917320
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name(NE)-N-[(2S)-2-methylbutylidene]hydroxylamine
SMILESCC[C@H](C)/C=N/O
InChIInChI=1S/C5H11NO/c1-3-5(2)4-6-7/h4-5,7H,3H2,1-2H3/b6-4+/t5-/m0/s1
InChIKeySEWWFHKIKWFJNV-WHEKYOLUSA-N
XLogP1.49
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (NE)-N-[(2S)-2-methylbutylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2S)-2-methylbutylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2S)-2-methylbutylidene]hydroxylamine (CID 12917320) is (NE)-N-[(2S)-2-methylbutylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2S)-2-methylbutylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2S)-2-methylbutylidene]hydroxylamine is CC[C@H](C)/C=N/O.
What is the InChIKey of (NE)-N-[(2S)-2-methylbutylidene]hydroxylamine?
The InChIKey is SEWWFHKIKWFJNV-WHEKYOLUSA-N. The full InChI is InChI=1S/C5H11NO/c1-3-5(2)4-6-7/h4-5,7H,3H2,1-2H3/b6-4+/t5-/m0/s1.
What are the key properties of (NE)-N-[(2S)-2-methylbutylidene]hydroxylamine?
(NE)-N-[(2S)-2-methylbutylidene]hydroxylamine has a molecular weight of 101.15 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2S)-2-methylbutylidene]hydroxylamine is sourced from PubChem (CID 12917320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).