N-benzylidenehydroxylamine;ethane

C9H13NO — CID 90698406

IUPACN-benzylidenehydroxylamine;ethane
SMILESCC.ON=Cc1ccccc1
InChIInChI=1S/C7H7NO.C2H6/c9-8-6-7-4-2-1-3-5-7;1-2/h1-6,9H;1-2H3
InChIKeyOOBVUURDCVVUHD-UHFFFAOYSA-N
MW151.21 g/mol
LogP2.52
Rot. Bonds1

About N-benzylidenehydroxylamine;ethane

N-benzylidenehydroxylamine;ethane (PubChem CID 90698406) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is N-benzylidenehydroxylamine;ethane.

Molecular Properties

Compound NameN-benzylidenehydroxylamine;ethane
PubChem CID90698406
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC NameN-benzylidenehydroxylamine;ethane
SMILESCC.ON=Cc1ccccc1
InChIInChI=1S/C7H7NO.C2H6/c9-8-6-7-4-2-1-3-5-7;1-2/h1-6,9H;1-2H3
InChIKeyOOBVUURDCVVUHD-UHFFFAOYSA-N
XLogP2.52
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(NZ)-N-benzylidenehydroxylamine;ethane
CID 91038836
ethane;N-methyl-1-phenylmethanimine
CID 90887000
(NE)-N-[[4-(1,2,2-triphenylethenyl)phenyl]methylidene]hydroxylamine
CID 170551705
N-(azulen-6-ylmethylidene)hydroxylamine
CID 73184151
N-[[3-(2-phenylethynyl)phenyl]methylidene]hydroxylamine
CID 72747163
(NZ)-N-[(3Z)-2-[(E)-benzylidenehydrazinylidene]-3-hydroxyiminopropylidene]hydroxylamine
CID 136815583
(NZ)-N-[(1-methylpyridin-1-ium-4-yl)methylidene]hydroxylamine
CID 135603327
(NZ)-N-benzylidenehydroxylamine;tert-butyl hypochlorite;(E)-N-hydroxybenzenecarboximidoyl chloride;methane
CID 172952915
(NE)-N-[[1-(3-phenylprop-2-enyl)pyridin-1-ium-4-yl]methylidene]hydroxylamine bromide
CID 172959662
1-(benzylideneamino)ethanol
CID 66697160
N-[(4-methylsulfanylphenyl)methylidene]hydroxylamine
CID 2453624
N-[(4-bromophenyl)methylidene]hydroxylamine
CID 608088

Frequently Asked Questions

What is the IUPAC name of N-benzylidenehydroxylamine;ethane?
The IUPAC name of N-benzylidenehydroxylamine;ethane (CID 90698406) is N-benzylidenehydroxylamine;ethane.
What is the SMILES notation for N-benzylidenehydroxylamine;ethane?
The canonical SMILES for N-benzylidenehydroxylamine;ethane is CC.ON=Cc1ccccc1.
What is the InChIKey of N-benzylidenehydroxylamine;ethane?
The InChIKey is OOBVUURDCVVUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO.C2H6/c9-8-6-7-4-2-1-3-5-7;1-2/h1-6,9H;1-2H3.
What are the key properties of N-benzylidenehydroxylamine;ethane?
N-benzylidenehydroxylamine;ethane has a molecular weight of 151.21 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylidenehydroxylamine;ethane is sourced from PubChem (CID 90698406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).