(NZ)-N-(1-methanidylpyrrolidin-1-ium-3-ylidene)hydroxylamine

C5H10N2O — CID 59130846

IUPAC(NZ)-N-(1-methanidylpyrrolidin-1-ium-3-ylidene)hydroxylamine
SMILES[CH2-][NH+]1CC/C(=N/O)C1
InChIInChI=1S/C5H10N2O/c1-7-3-2-5(4-7)6-8/h7-8H,1-4H2/b6-5-
InChIKeyWGMMIDCGYDQNJZ-WAYWQWQTSA-N
MW114.15 g/mol
LogP-1.10
Rot. Bonds

About (NZ)-N-(1-methanidylpyrrolidin-1-ium-3-ylidene)hydroxylamine

(NZ)-N-(1-methanidylpyrrolidin-1-ium-3-ylidene)hydroxylamine (PubChem CID 59130846) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is (NZ)-N-(1-methanidylpyrrolidin-1-ium-3-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(1-methanidylpyrrolidin-1-ium-3-ylidene)hydroxylamine
PubChem CID59130846
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name(NZ)-N-(1-methanidylpyrrolidin-1-ium-3-ylidene)hydroxylamine
SMILES[CH2-][NH+]1CC/C(=N/O)C1
InChIInChI=1S/C5H10N2O/c1-7-3-2-5(4-7)6-8/h7-8H,1-4H2/b6-5-
InChIKeyWGMMIDCGYDQNJZ-WAYWQWQTSA-N
XLogP-1.10
TPSA37.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', '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 (NZ)-N-(1-methanidylpyrrolidin-1-ium-3-ylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(1-methanidylpyrrolidin-1-ium-3-ylidene)hydroxylamine (CID 59130846) is (NZ)-N-(1-methanidylpyrrolidin-1-ium-3-ylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(1-methanidylpyrrolidin-1-ium-3-ylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(1-methanidylpyrrolidin-1-ium-3-ylidene)hydroxylamine is [CH2-][NH+]1CC/C(=N/O)C1.
What is the InChIKey of (NZ)-N-(1-methanidylpyrrolidin-1-ium-3-ylidene)hydroxylamine?
The InChIKey is WGMMIDCGYDQNJZ-WAYWQWQTSA-N. The full InChI is InChI=1S/C5H10N2O/c1-7-3-2-5(4-7)6-8/h7-8H,1-4H2/b6-5-.
What are the key properties of (NZ)-N-(1-methanidylpyrrolidin-1-ium-3-ylidene)hydroxylamine?
(NZ)-N-(1-methanidylpyrrolidin-1-ium-3-ylidene)hydroxylamine has a molecular weight of 114.15 g/mol, XLogP of -1.10, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(1-methanidylpyrrolidin-1-ium-3-ylidene)hydroxylamine is sourced from PubChem (CID 59130846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).