(NE)-N-[(4E)-4-hydroxyiminohexan-3-ylidene]hydroxylamine

C6H12N2O2 — CID 135659017

IUPAC(NE)-N-[(4E)-4-hydroxyiminohexan-3-ylidene]hydroxylamine
SMILESCCC(=N\O)/C(CC)=N/O
InChIInChI=1S/C6H12N2O2/c1-3-5(7-9)6(4-2)8-10/h9-10H,3-4H2,1-2H3/b7-5+,8-6+
InChIKeyDFTMMVSDKIXUIX-KQQUZDAGSA-N
MW144.17 g/mol
LogP1.47
Rot. Bonds3

About (NE)-N-[(4E)-4-hydroxyiminohexan-3-ylidene]hydroxylamine

(NE)-N-[(4E)-4-hydroxyiminohexan-3-ylidene]hydroxylamine (PubChem CID 135659017) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is (NE)-N-[(4E)-4-hydroxyiminohexan-3-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(4E)-4-hydroxyiminohexan-3-ylidene]hydroxylamine
PubChem CID135659017
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name(NE)-N-[(4E)-4-hydroxyiminohexan-3-ylidene]hydroxylamine
SMILESCCC(=N\O)/C(CC)=N/O
InChIInChI=1S/C6H12N2O2/c1-3-5(7-9)6(4-2)8-10/h9-10H,3-4H2,1-2H3/b7-5+,8-6+
InChIKeyDFTMMVSDKIXUIX-KQQUZDAGSA-N
XLogP1.47
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'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-[(4E)-4-hydroxyiminohexan-3-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(4E)-4-hydroxyiminohexan-3-ylidene]hydroxylamine (CID 135659017) is (NE)-N-[(4E)-4-hydroxyiminohexan-3-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(4E)-4-hydroxyiminohexan-3-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(4E)-4-hydroxyiminohexan-3-ylidene]hydroxylamine is CCC(=N\O)/C(CC)=N/O.
What is the InChIKey of (NE)-N-[(4E)-4-hydroxyiminohexan-3-ylidene]hydroxylamine?
The InChIKey is DFTMMVSDKIXUIX-KQQUZDAGSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-3-5(7-9)6(4-2)8-10/h9-10H,3-4H2,1-2H3/b7-5+,8-6+.
What are the key properties of (NE)-N-[(4E)-4-hydroxyiminohexan-3-ylidene]hydroxylamine?
(NE)-N-[(4E)-4-hydroxyiminohexan-3-ylidene]hydroxylamine has a molecular weight of 144.17 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(4E)-4-hydroxyiminohexan-3-ylidene]hydroxylamine is sourced from PubChem (CID 135659017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).