(NE)-N-pentan-2-ylidenehydroxylamine

C5H11NO — CID 5357206

IUPAC(NE)-N-pentan-2-ylidenehydroxylamine
SMILESCCC/C(C)=N/O
InChIInChI=1S/C5H11NO/c1-3-4-5(2)6-7/h7H,3-4H2,1-2H3/b6-5+
InChIKeyFWSXGNXGAJUIPS-AATRIKPKSA-N
MW101.15 g/mol
LogP1.64
Rot. Bonds2

About (NE)-N-pentan-2-ylidenehydroxylamine

(NE)-N-pentan-2-ylidenehydroxylamine (PubChem CID 5357206) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is (NE)-N-pentan-2-ylidenehydroxylamine.

Molecular Properties

Compound Name(NE)-N-pentan-2-ylidenehydroxylamine
PubChem CID5357206
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name(NE)-N-pentan-2-ylidenehydroxylamine
SMILESCCC/C(C)=N/O
InChIInChI=1S/C5H11NO/c1-3-4-5(2)6-7/h7H,3-4H2,1-2H3/b6-5+
InChIKeyFWSXGNXGAJUIPS-AATRIKPKSA-N
XLogP1.64
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 ≤ 51.64
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-pentan-2-ylidenehydroxylamine?
The IUPAC name of (NE)-N-pentan-2-ylidenehydroxylamine (CID 5357206) is (NE)-N-pentan-2-ylidenehydroxylamine.
What is the SMILES notation for (NE)-N-pentan-2-ylidenehydroxylamine?
The canonical SMILES for (NE)-N-pentan-2-ylidenehydroxylamine is CCC/C(C)=N/O.
What is the InChIKey of (NE)-N-pentan-2-ylidenehydroxylamine?
The InChIKey is FWSXGNXGAJUIPS-AATRIKPKSA-N. The full InChI is InChI=1S/C5H11NO/c1-3-4-5(2)6-7/h7H,3-4H2,1-2H3/b6-5+.
What are the key properties of (NE)-N-pentan-2-ylidenehydroxylamine?
(NE)-N-pentan-2-ylidenehydroxylamine has a molecular weight of 101.15 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-pentan-2-ylidenehydroxylamine is sourced from PubChem (CID 5357206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).