N-[[4-(azetidin-1-yl)phenyl]methylidene]hydroxylamine

C10H12N2O — CID 141349940

IUPACN-[[4-(azetidin-1-yl)phenyl]methylidene]hydroxylamine
SMILESON=Cc1ccc(N2CCC2)cc1
InChIInChI=1S/C10H12N2O/c13-11-8-9-2-4-10(5-3-9)12-6-1-7-12/h2-5,8,13H,1,6-7H2
InChIKeyYPWWRDOEAUIFOA-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.70
Rot. Bonds2

About N-[[4-(azetidin-1-yl)phenyl]methylidene]hydroxylamine

N-[[4-(azetidin-1-yl)phenyl]methylidene]hydroxylamine (PubChem CID 141349940) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is N-[[4-(azetidin-1-yl)phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[4-(azetidin-1-yl)phenyl]methylidene]hydroxylamine
PubChem CID141349940
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC NameN-[[4-(azetidin-1-yl)phenyl]methylidene]hydroxylamine
SMILESON=Cc1ccc(N2CCC2)cc1
InChIInChI=1S/C10H12N2O/c13-11-8-9-2-4-10(5-3-9)12-6-1-7-12/h2-5,8,13H,1,6-7H2
InChIKeyYPWWRDOEAUIFOA-UHFFFAOYSA-N
XLogP1.70
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(E)-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]-1-(4-piperidin-1-ylphenyl)methanimine
CID 172986311
4-[2-[(4-pyrrolidin-1-ylphenyl)methylidene]hydrazinyl]benzoic acid
CID 74856803
1-[4-[2-(4-piperidin-1-ylphenyl)ethenyl]phenyl]piperidine
CID 56975979
(E)-1-(4-pyrrolidin-1-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 6859857
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
3-chloro-N-[(4-pyrrolidin-1-ylphenyl)methylideneamino]aniline
CID 110840362
(E)-3-(4-pyrrolidin-1-ylphenyl)prop-2-enoic acid
CID 18363088
3-(4-piperidin-1-ylphenyl)prop-2-enenitrile
CID 169484506
3-(4-piperidin-1-ylphenyl)prop-2-en-1-ol
CID 169454389
(E)-N-phenylmethoxy-1-(4-pyrrolidin-1-ylphenyl)methanimine
CID 21233808
2-chloro-N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]aniline
CID 7955344
ethyl N-[(E)-(4-piperidin-1-ylphenyl)methylideneamino]carbamate
CID 6910070

Frequently Asked Questions

What is the IUPAC name of N-[[4-(azetidin-1-yl)phenyl]methylidene]hydroxylamine?
The IUPAC name of N-[[4-(azetidin-1-yl)phenyl]methylidene]hydroxylamine (CID 141349940) is N-[[4-(azetidin-1-yl)phenyl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[4-(azetidin-1-yl)phenyl]methylidene]hydroxylamine?
The canonical SMILES for N-[[4-(azetidin-1-yl)phenyl]methylidene]hydroxylamine is ON=Cc1ccc(N2CCC2)cc1.
What is the InChIKey of N-[[4-(azetidin-1-yl)phenyl]methylidene]hydroxylamine?
The InChIKey is YPWWRDOEAUIFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c13-11-8-9-2-4-10(5-3-9)12-6-1-7-12/h2-5,8,13H,1,6-7H2.
What are the key properties of N-[[4-(azetidin-1-yl)phenyl]methylidene]hydroxylamine?
N-[[4-(azetidin-1-yl)phenyl]methylidene]hydroxylamine has a molecular weight of 176.22 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(azetidin-1-yl)phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 141349940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).