N-[(5-chloro-2-prop-2-ynoxyphenyl)methylidene]hydroxylamine

C10H8ClNO2 — CID 2287439

IUPACN-[(5-chloro-2-prop-2-ynoxyphenyl)methylidene]hydroxylamine
SMILESC#CCOc1ccc(Cl)cc1C=NO
InChIInChI=1S/C10H8ClNO2/c1-2-5-14-10-4-3-9(11)6-8(10)7-12-13/h1,3-4,6-7,13H,5H2
InChIKeyYYSACDVOGXGWEO-UHFFFAOYSA-N
MW209.63 g/mol
LogP2.16
Rot. Bonds3

About N-[(5-chloro-2-prop-2-ynoxyphenyl)methylidene]hydroxylamine

N-[(5-chloro-2-prop-2-ynoxyphenyl)methylidene]hydroxylamine (PubChem CID 2287439) has the molecular formula C10H8ClNO2 and a molecular weight of 209.63 g/mol. Its IUPAC name is N-[(5-chloro-2-prop-2-ynoxyphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(5-chloro-2-prop-2-ynoxyphenyl)methylidene]hydroxylamine
PubChem CID2287439
Molecular FormulaC10H8ClNO2
Molecular Weight209.63 g/mol
Exact Mass209.02
IUPAC NameN-[(5-chloro-2-prop-2-ynoxyphenyl)methylidene]hydroxylamine
SMILESC#CCOc1ccc(Cl)cc1C=NO
InChIInChI=1S/C10H8ClNO2/c1-2-5-14-10-4-3-9(11)6-8(10)7-12-13/h1,3-4,6-7,13H,5H2
InChIKeyYYSACDVOGXGWEO-UHFFFAOYSA-N
XLogP2.16
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.63
LogP ≤ 52.16
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[(5-chloro-2-phenylmethoxyphenyl)methylidene]hydroxylamine
CID 42200980
N-[[5-chloro-2-(2-phenoxyethoxy)phenyl]methylidene]hydroxylamine
CID 20984024
(NE)-N-[(5-chloro-2-hexoxyphenyl)methylidene]hydroxylamine
CID 42184829
chloro (E)-3-(5-chloro-2-prop-2-ynoxyphenyl)prop-2-enoate
CID 142897955
N-[[5-chloro-2-[2-(4-fluorophenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 20993046
(NE)-N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 6898054
(NE)-N-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 89444710
N-[[5-chloro-2-[2-(2-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 20984350
[4-chloro-2-(prop-2-ynoxyiminomethyl)phenyl] acetate
CID 54278474
(NE)-N-[(3,5-dichloro-4-prop-2-ynoxyphenyl)methylidene]hydroxylamine
CID 6894421
2-[[5-chloro-2-(cyanomethoxy)phenyl]methylideneamino]guanidine
CID 168592781
(NE)-N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 6898107

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-prop-2-ynoxyphenyl)methylidene]hydroxylamine?
The IUPAC name of N-[(5-chloro-2-prop-2-ynoxyphenyl)methylidene]hydroxylamine (CID 2287439) is N-[(5-chloro-2-prop-2-ynoxyphenyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(5-chloro-2-prop-2-ynoxyphenyl)methylidene]hydroxylamine?
The canonical SMILES for N-[(5-chloro-2-prop-2-ynoxyphenyl)methylidene]hydroxylamine is C#CCOc1ccc(Cl)cc1C=NO.
What is the InChIKey of N-[(5-chloro-2-prop-2-ynoxyphenyl)methylidene]hydroxylamine?
The InChIKey is YYSACDVOGXGWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO2/c1-2-5-14-10-4-3-9(11)6-8(10)7-12-13/h1,3-4,6-7,13H,5H2.
What are the key properties of N-[(5-chloro-2-prop-2-ynoxyphenyl)methylidene]hydroxylamine?
N-[(5-chloro-2-prop-2-ynoxyphenyl)methylidene]hydroxylamine has a molecular weight of 209.63 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-prop-2-ynoxyphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 2287439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).