(NZ)-N-[[2-(prop-2-enylamino)phenyl]methylidene]hydroxylamine

C10H12N2O — CID 87940344

IUPAC(NZ)-N-[[2-(prop-2-enylamino)phenyl]methylidene]hydroxylamine
SMILESC=CCNc1ccccc1/C=N\O
InChIInChI=1S/C10H12N2O/c1-2-7-11-10-6-4-3-5-9(10)8-12-13/h2-6,8,11,13H,1,7H2/b12-8-
InChIKeyUQCJCMDCGOAGGU-WQLSENKSSA-N
MW176.22 g/mol
LogP2.09
Rot. Bonds4

About (NZ)-N-[[2-(prop-2-enylamino)phenyl]methylidene]hydroxylamine

(NZ)-N-[[2-(prop-2-enylamino)phenyl]methylidene]hydroxylamine (PubChem CID 87940344) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is (NZ)-N-[[2-(prop-2-enylamino)phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[2-(prop-2-enylamino)phenyl]methylidene]hydroxylamine
PubChem CID87940344
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name(NZ)-N-[[2-(prop-2-enylamino)phenyl]methylidene]hydroxylamine
SMILESC=CCNc1ccccc1/C=N\O
InChIInChI=1S/C10H12N2O/c1-2-7-11-10-6-4-3-5-9(10)8-12-13/h2-6,8,11,13H,1,7H2/b12-8-
InChIKeyUQCJCMDCGOAGGU-WQLSENKSSA-N
XLogP2.09
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-[[2-(prop-2-enylamino)phenyl]methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[2-(prop-2-enylamino)phenyl]methylidene]hydroxylamine (CID 87940344) is (NZ)-N-[[2-(prop-2-enylamino)phenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[2-(prop-2-enylamino)phenyl]methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[2-(prop-2-enylamino)phenyl]methylidene]hydroxylamine is C=CCNc1ccccc1/C=N\O.
What is the InChIKey of (NZ)-N-[[2-(prop-2-enylamino)phenyl]methylidene]hydroxylamine?
The InChIKey is UQCJCMDCGOAGGU-WQLSENKSSA-N. The full InChI is InChI=1S/C10H12N2O/c1-2-7-11-10-6-4-3-5-9(10)8-12-13/h2-6,8,11,13H,1,7H2/b12-8-.
What are the key properties of (NZ)-N-[[2-(prop-2-enylamino)phenyl]methylidene]hydroxylamine?
(NZ)-N-[[2-(prop-2-enylamino)phenyl]methylidene]hydroxylamine has a molecular weight of 176.22 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[2-(prop-2-enylamino)phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 87940344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).