(NE)-N-(3-methylbutan-2-ylidene)hydroxylamine

C5H11NO — CID 5480046

IUPAC(NE)-N-(3-methylbutan-2-ylidene)hydroxylamine
SMILESC/C(=N\O)C(C)C
InChIInChI=1S/C5H11NO/c1-4(2)5(3)6-7/h4,7H,1-3H3/b6-5+
InChIKeyHZCRFUPEBRNAAI-AATRIKPKSA-N
MW101.15 g/mol
LogP1.49
Rot. Bonds1

About (NE)-N-(3-methylbutan-2-ylidene)hydroxylamine

(NE)-N-(3-methylbutan-2-ylidene)hydroxylamine (PubChem CID 5480046) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is (NE)-N-(3-methylbutan-2-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(3-methylbutan-2-ylidene)hydroxylamine
PubChem CID5480046
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name(NE)-N-(3-methylbutan-2-ylidene)hydroxylamine
SMILESC/C(=N\O)C(C)C
InChIInChI=1S/C5H11NO/c1-4(2)5(3)6-7/h4,7H,1-3H3/b6-5+
InChIKeyHZCRFUPEBRNAAI-AATRIKPKSA-N
XLogP1.49
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-(3-methylbutan-2-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(3-methylbutan-2-ylidene)hydroxylamine (CID 5480046) is (NE)-N-(3-methylbutan-2-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(3-methylbutan-2-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(3-methylbutan-2-ylidene)hydroxylamine is C/C(=N\O)C(C)C.
What is the InChIKey of (NE)-N-(3-methylbutan-2-ylidene)hydroxylamine?
The InChIKey is HZCRFUPEBRNAAI-AATRIKPKSA-N. The full InChI is InChI=1S/C5H11NO/c1-4(2)5(3)6-7/h4,7H,1-3H3/b6-5+.
What are the key properties of (NE)-N-(3-methylbutan-2-ylidene)hydroxylamine?
(NE)-N-(3-methylbutan-2-ylidene)hydroxylamine has a molecular weight of 101.15 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(3-methylbutan-2-ylidene)hydroxylamine is sourced from PubChem (CID 5480046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).