(NE)-N-[1-[[(2Z)-2-hydroxyiminopropyl]amino]propan-2-ylidene]hydroxylamine

C6H13N3O2 — CID 134834887

IUPAC(NE)-N-[1-[[(2Z)-2-hydroxyiminopropyl]amino]propan-2-ylidene]hydroxylamine
SMILESC/C(CNC/C(C)=N/O)=N/O
InChIInChI=1S/C6H13N3O2/c1-5(8-10)3-7-4-6(2)9-11/h7,10-11H,3-4H2,1-2H3/b8-5-,9-6+
InChIKeyFDTIWPCMGPCVAG-LDFAFZTOSA-N
MW159.19 g/mol
LogP0.28
Rot. Bonds4

About (NE)-N-[1-[[(2Z)-2-hydroxyiminopropyl]amino]propan-2-ylidene]hydroxylamine

(NE)-N-[1-[[(2Z)-2-hydroxyiminopropyl]amino]propan-2-ylidene]hydroxylamine (PubChem CID 134834887) has the molecular formula C6H13N3O2 and a molecular weight of 159.19 g/mol. Its IUPAC name is (NE)-N-[1-[[(2Z)-2-hydroxyiminopropyl]amino]propan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[[(2Z)-2-hydroxyiminopropyl]amino]propan-2-ylidene]hydroxylamine
PubChem CID134834887
Molecular FormulaC6H13N3O2
Molecular Weight159.19 g/mol
Exact Mass159.10
IUPAC Name(NE)-N-[1-[[(2Z)-2-hydroxyiminopropyl]amino]propan-2-ylidene]hydroxylamine
SMILESC/C(CNC/C(C)=N/O)=N/O
InChIInChI=1S/C6H13N3O2/c1-5(8-10)3-7-4-6(2)9-11/h7,10-11H,3-4H2,1-2H3/b8-5-,9-6+
InChIKeyFDTIWPCMGPCVAG-LDFAFZTOSA-N
XLogP0.28
TPSA77.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[1-[[(2Z)-2-hydroxyiminopropyl]amino]propan-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[[(2Z)-2-hydroxyiminopropyl]amino]propan-2-ylidene]hydroxylamine (CID 134834887) is (NE)-N-[1-[[(2Z)-2-hydroxyiminopropyl]amino]propan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[[(2Z)-2-hydroxyiminopropyl]amino]propan-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[[(2Z)-2-hydroxyiminopropyl]amino]propan-2-ylidene]hydroxylamine is C/C(CNC/C(C)=N/O)=N/O.
What is the InChIKey of (NE)-N-[1-[[(2Z)-2-hydroxyiminopropyl]amino]propan-2-ylidene]hydroxylamine?
The InChIKey is FDTIWPCMGPCVAG-LDFAFZTOSA-N. The full InChI is InChI=1S/C6H13N3O2/c1-5(8-10)3-7-4-6(2)9-11/h7,10-11H,3-4H2,1-2H3/b8-5-,9-6+.
What are the key properties of (NE)-N-[1-[[(2Z)-2-hydroxyiminopropyl]amino]propan-2-ylidene]hydroxylamine?
(NE)-N-[1-[[(2Z)-2-hydroxyiminopropyl]amino]propan-2-ylidene]hydroxylamine has a molecular weight of 159.19 g/mol, XLogP of 0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[[(2Z)-2-hydroxyiminopropyl]amino]propan-2-ylidene]hydroxylamine is sourced from PubChem (CID 134834887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).