2-(3-ethenyloxiran-2-yl)aniline

C10H11NO — CID 139629004

IUPAC2-(3-ethenyloxiran-2-yl)aniline
SMILESC=CC1OC1c1ccccc1N
InChIInChI=1S/C10H11NO/c1-2-9-10(12-9)7-5-3-4-6-8(7)11/h2-6,9-10H,1,11H2
InChIKeyKTMKESOQSJKBJZ-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.89
Rot. Bonds2

About 2-(3-ethenyloxiran-2-yl)aniline

2-(3-ethenyloxiran-2-yl)aniline (PubChem CID 139629004) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-(3-ethenyloxiran-2-yl)aniline.

Molecular Properties

Compound Name2-(3-ethenyloxiran-2-yl)aniline
PubChem CID139629004
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name2-(3-ethenyloxiran-2-yl)aniline
SMILESC=CC1OC1c1ccccc1N
InChIInChI=1S/C10H11NO/c1-2-9-10(12-9)7-5-3-4-6-8(7)11/h2-6,9-10H,1,11H2
InChIKeyKTMKESOQSJKBJZ-UHFFFAOYSA-N
XLogP1.89
TPSA38.55 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2S,3R)-2-ethenyl-3-naphthalen-1-yloxirane
CID 71408013
2-(3-methyloxiran-2-yl)aniline
CID 163937160
2-[(2S,3R)-3-ethenyloxiran-2-yl]pyridine
CID 93493906
(2S)-2-(4-chlorophenyl)-3-ethenyloxirane
CID 101260589
2-prop-2-enylaniline
CID 3036592
3-(2-aminophenyl)-N-ethyloxiran-2-amine
CID 123178084
palladium(2+);2-prop-2-enylaniline;dichloride
CID 3036591
3-[(2R,3S)-3-ethenyloxiran-2-yl]pyridine
CID 93493915
(1S,2S,3S,10S)-hexacyclo[8.8.0.02,18.03,11.04,9.012,17]octadeca-4,6,8,12,14,16-hexaene
CID 98514313
8-oxatricyclo[4.3.0.07,9]nona-1,3,5-triene
CID 87081194
[2-(2-aminophenyl)cyclopropyl]methanol
CID 115012846
benzene-1,2-diamine;zinc
CID 70562194

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethenyloxiran-2-yl)aniline?
The IUPAC name of 2-(3-ethenyloxiran-2-yl)aniline (CID 139629004) is 2-(3-ethenyloxiran-2-yl)aniline.
What is the SMILES notation for 2-(3-ethenyloxiran-2-yl)aniline?
The canonical SMILES for 2-(3-ethenyloxiran-2-yl)aniline is C=CC1OC1c1ccccc1N.
What is the InChIKey of 2-(3-ethenyloxiran-2-yl)aniline?
The InChIKey is KTMKESOQSJKBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-2-9-10(12-9)7-5-3-4-6-8(7)11/h2-6,9-10H,1,11H2.
What are the key properties of 2-(3-ethenyloxiran-2-yl)aniline?
2-(3-ethenyloxiran-2-yl)aniline has a molecular weight of 161.20 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethenyloxiran-2-yl)aniline is sourced from PubChem (CID 139629004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).