3-chloro-3-(1-phenylcyclopropyl)oxydiazirine

C10H9ClN2O — CID 101347638

IUPAC3-chloro-3-(1-phenylcyclopropyl)oxydiazirine
SMILESClC1(OC2(c3ccccc3)CC2)N=N1
InChIInChI=1S/C10H9ClN2O/c11-10(12-13-10)14-9(6-7-9)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyFWKRVXHGGWKHJJ-UHFFFAOYSA-N
MW208.65 g/mol
LogP3.01
Rot. Bonds3

About 3-chloro-3-(1-phenylcyclopropyl)oxydiazirine

3-chloro-3-(1-phenylcyclopropyl)oxydiazirine (PubChem CID 101347638) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 3-chloro-3-(1-phenylcyclopropyl)oxydiazirine.

Molecular Properties

Compound Name3-chloro-3-(1-phenylcyclopropyl)oxydiazirine
PubChem CID101347638
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name3-chloro-3-(1-phenylcyclopropyl)oxydiazirine
SMILESClC1(OC2(c3ccccc3)CC2)N=N1
InChIInChI=1S/C10H9ClN2O/c11-10(12-13-10)14-9(6-7-9)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyFWKRVXHGGWKHJJ-UHFFFAOYSA-N
XLogP3.01
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

[(1S)-1,2,2-trichlorocyclopropyl]benzene
CID 95239829
(1-phenylcyclopropyl) methanesulfonate
CID 131853977
(1-phenylcyclopropyl) acetate
CID 121216912
4-methoxy-4-phenyloxane
CID 21049814
8-methoxy-8-phenyl-1,4-dioxaspiro[4.5]decane
CID 22492982
(1-phenylcyclopropyl) N-methylcarbamate
CID 174645561
4-methoxy-4-phenylcyclohexan-1-one
CID 22492992
ethane;4-methoxy-4-phenylpiperidine
CID 144662797
(1-propoxycyclobutyl)benzene
CID 57027852
3-(1-phenylcyclopentyl)oxypyridine
CID 172995186
(1S,4R,5S,6S)-5,6-dimethyl-1,4-diphenyl-2,3-diazabicyclo[2.2.2]oct-2-ene
CID 10708640
(1-phenylcyclopentyl) hydrogen sulfite
CID 66796702

Frequently Asked Questions

What is the IUPAC name of 3-chloro-3-(1-phenylcyclopropyl)oxydiazirine?
The IUPAC name of 3-chloro-3-(1-phenylcyclopropyl)oxydiazirine (CID 101347638) is 3-chloro-3-(1-phenylcyclopropyl)oxydiazirine.
What is the SMILES notation for 3-chloro-3-(1-phenylcyclopropyl)oxydiazirine?
The canonical SMILES for 3-chloro-3-(1-phenylcyclopropyl)oxydiazirine is ClC1(OC2(c3ccccc3)CC2)N=N1.
What is the InChIKey of 3-chloro-3-(1-phenylcyclopropyl)oxydiazirine?
The InChIKey is FWKRVXHGGWKHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c11-10(12-13-10)14-9(6-7-9)8-4-2-1-3-5-8/h1-5H,6-7H2.
What are the key properties of 3-chloro-3-(1-phenylcyclopropyl)oxydiazirine?
3-chloro-3-(1-phenylcyclopropyl)oxydiazirine has a molecular weight of 208.65 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-3-(1-phenylcyclopropyl)oxydiazirine is sourced from PubChem (CID 101347638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).