N-[1-(3-methylphenyl)ethenyl]hydroxylamine

C9H11NO — CID 142051233

IUPACN-[1-(3-methylphenyl)ethenyl]hydroxylamine
SMILESC=C(NO)c1cccc(C)c1
InChIInChI=1S/C9H11NO/c1-7-4-3-5-9(6-7)8(2)10-11/h3-6,10-11H,2H2,1H3
InChIKeyFNGQHUTVNPSSPG-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.94
Rot. Bonds2

About N-[1-(3-methylphenyl)ethenyl]hydroxylamine

N-[1-(3-methylphenyl)ethenyl]hydroxylamine (PubChem CID 142051233) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is N-[1-(3-methylphenyl)ethenyl]hydroxylamine.

Molecular Properties

Compound NameN-[1-(3-methylphenyl)ethenyl]hydroxylamine
PubChem CID142051233
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC NameN-[1-(3-methylphenyl)ethenyl]hydroxylamine
SMILESC=C(NO)c1cccc(C)c1
InChIInChI=1S/C9H11NO/c1-7-4-3-5-9(6-7)8(2)10-11/h3-6,10-11H,2H2,1H3
InChIKeyFNGQHUTVNPSSPG-UHFFFAOYSA-N
XLogP1.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-methylphenyl)ethenylhydrazine
CID 129060271
2-methyl-N-[1-(3-methylphenyl)ethenyl]aniline
CID 143816071
ethane;ethene;1-methyl-3-prop-1-en-2-ylbenzene
CID 142829669
3-(3-methylphenyl)but-3-enenitrile
CID 166829284
1-(3-methoxy-3-methylbut-1-en-2-yl)-3-methylbenzene
CID 143192963
CID 174102680
CID 174102680
bis(3-methylphenyl)methanone
CID 17848
1,2-bis(3-methylphenyl)ethene-1,2-dithiol
CID 76563900
methyl 2-[(3-methylbenzoyl)amino]prop-2-enoate
CID 123522259
N-(3-chloroprop-2-enoxy)-1-(3-methylphenyl)ethenamine
CID 57046392
methyl N-[1-(3-methylphenyl)ethenyl]ethanimidate
CID 143876122
(3-methylbenzoyl)azanium
CID 153183849

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylphenyl)ethenyl]hydroxylamine?
The IUPAC name of N-[1-(3-methylphenyl)ethenyl]hydroxylamine (CID 142051233) is N-[1-(3-methylphenyl)ethenyl]hydroxylamine.
What is the SMILES notation for N-[1-(3-methylphenyl)ethenyl]hydroxylamine?
The canonical SMILES for N-[1-(3-methylphenyl)ethenyl]hydroxylamine is C=C(NO)c1cccc(C)c1.
What is the InChIKey of N-[1-(3-methylphenyl)ethenyl]hydroxylamine?
The InChIKey is FNGQHUTVNPSSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-7-4-3-5-9(6-7)8(2)10-11/h3-6,10-11H,2H2,1H3.
What are the key properties of N-[1-(3-methylphenyl)ethenyl]hydroxylamine?
N-[1-(3-methylphenyl)ethenyl]hydroxylamine has a molecular weight of 149.19 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylphenyl)ethenyl]hydroxylamine is sourced from PubChem (CID 142051233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).