(NE)-N-[(1Z)-1-hydroxyiminopropan-2-ylidene]hydroxylamine

C3H6N2O2 — CID 135538356

IUPAC(NE)-N-[(1Z)-1-hydroxyiminopropan-2-ylidene]hydroxylamine
SMILESCC(/C=N\O)=N\O
InChIInChI=1S/C3H6N2O2/c1-3(5-7)2-4-6/h2,6-7H,1H3/b4-2-,5-3+
InChIKeyKFTHGQZJWAXFGG-VOERYJCWSA-N
MW102.09 g/mol
LogP0.30
Rot. Bonds1

About (NE)-N-[(1Z)-1-hydroxyiminopropan-2-ylidene]hydroxylamine

(NE)-N-[(1Z)-1-hydroxyiminopropan-2-ylidene]hydroxylamine (PubChem CID 135538356) has the molecular formula C3H6N2O2 and a molecular weight of 102.09 g/mol. Its IUPAC name is (NE)-N-[(1Z)-1-hydroxyiminopropan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(1Z)-1-hydroxyiminopropan-2-ylidene]hydroxylamine
PubChem CID135538356
Molecular FormulaC3H6N2O2
Molecular Weight102.09 g/mol
Exact Mass102.04
IUPAC Name(NE)-N-[(1Z)-1-hydroxyiminopropan-2-ylidene]hydroxylamine
SMILESCC(/C=N\O)=N\O
InChIInChI=1S/C3H6N2O2/c1-3(5-7)2-4-6/h2,6-7H,1H3/b4-2-,5-3+
InChIKeyKFTHGQZJWAXFGG-VOERYJCWSA-N
XLogP0.30
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.09
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

N-(1-hydroxyiminopropan-2-ylidene)hydroxylamine;nickel
CID 161461506
(NE)-N-[(E,5E)-5-hydroxyiminohex-3-en-2-ylidene]hydroxylamine
CID 137315895
CID 174297388
CID 174297388
chromium;N-(2-methoxyiminopropylidene)hydroxylamine
CID 174360652
(NE)-N-[2-[3-[[(1E)-1-hydroxyiminopropan-2-ylidene]amino]propylimino]propylidene]hydroxylamine
CID 177464159
(NZ)-N-[(E)-pent-3-en-2-ylidene]hydroxylamine
CID 101070438
N-(1-hydroxyimino-3-methylbutan-2-ylidene)hydroxylamine
CID 137185576
(1Z)-N-hydroxy-2-(2-hydroxyiminopropylideneamino)-2-methyliminoethanimidoyl chloride
CID 172965724
N-(1-iminopropan-2-ylidene)hydroxylamine
CID 140984179
(NZ)-N-[(E)-5-methylhex-3-en-2-ylidene]hydroxylamine
CID 58526738
(E,4E)-4-hydroxyiminopent-2-enoic acid
CID 119096285
4-[(E)-[(Z)-[(1E)-1-hydroxyiminopropan-2-ylidene]hydrazinylidene]methyl]phenol
CID 135721698

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(1Z)-1-hydroxyiminopropan-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(1Z)-1-hydroxyiminopropan-2-ylidene]hydroxylamine (CID 135538356) is (NE)-N-[(1Z)-1-hydroxyiminopropan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(1Z)-1-hydroxyiminopropan-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(1Z)-1-hydroxyiminopropan-2-ylidene]hydroxylamine is CC(/C=N\O)=N\O.
What is the InChIKey of (NE)-N-[(1Z)-1-hydroxyiminopropan-2-ylidene]hydroxylamine?
The InChIKey is KFTHGQZJWAXFGG-VOERYJCWSA-N. The full InChI is InChI=1S/C3H6N2O2/c1-3(5-7)2-4-6/h2,6-7H,1H3/b4-2-,5-3+.
What are the key properties of (NE)-N-[(1Z)-1-hydroxyiminopropan-2-ylidene]hydroxylamine?
(NE)-N-[(1Z)-1-hydroxyiminopropan-2-ylidene]hydroxylamine has a molecular weight of 102.09 g/mol, XLogP of 0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(1Z)-1-hydroxyiminopropan-2-ylidene]hydroxylamine is sourced from PubChem (CID 135538356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).