2-[2-(3-ethyloxiran-2-yl)propyl]pyridine

C12H17NO — CID 83930025

IUPAC2-[2-(3-ethyloxiran-2-yl)propyl]pyridine
SMILESCCC1OC1C(C)Cc1ccccn1
InChIInChI=1S/C12H17NO/c1-3-11-12(14-11)9(2)8-10-6-4-5-7-13-10/h4-7,9,11-12H,3,8H2,1-2H3
InChIKeyMOUZPLRATQOIQI-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.44
Rot. Bonds4

About 2-[2-(3-ethyloxiran-2-yl)propyl]pyridine

2-[2-(3-ethyloxiran-2-yl)propyl]pyridine (PubChem CID 83930025) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-[2-(3-ethyloxiran-2-yl)propyl]pyridine.

Molecular Properties

Compound Name2-[2-(3-ethyloxiran-2-yl)propyl]pyridine
PubChem CID83930025
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-[2-(3-ethyloxiran-2-yl)propyl]pyridine
SMILESCCC1OC1C(C)Cc1ccccn1
InChIInChI=1S/C12H17NO/c1-3-11-12(14-11)9(2)8-10-6-4-5-7-13-10/h4-7,9,11-12H,3,8H2,1-2H3
InChIKeyMOUZPLRATQOIQI-UHFFFAOYSA-N
XLogP2.44
TPSA25.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-pyridin-2-ylpropan-2-amine
CID 42037572
2-ethyl-3-[1-(5-ethylthiophen-2-yl)propan-2-yl]oxirane
CID 83929453
3-[2-(3-ethyloxiran-2-yl)propyl]phenol
CID 83930339
4-methyl-1-pyridin-2-ylpentane-2,3-diol
CID 103456469
2-(2-propoxypropyl)pyridine
CID 121216796
2-(2-cyclopropyl-3-methylbutyl)pyridine
CID 54206046
2-[1-(2,5-diethylphenyl)propan-2-yl]-3-ethyloxirane
CID 83920999
2-(4-methyl-2-propylpentyl)pyridine
CID 57227935
2-(2,7-dimethyl-10-pyridin-2-yldecyl)pyridine
CID 163557685
4-methyl-1-pyridin-2-ylpentan-2-amine
CID 43118867
ethane;2-ethylpyridine
CID 91102000
2-ethylpyridine;sulfane
CID 67363352

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-ethyloxiran-2-yl)propyl]pyridine?
The IUPAC name of 2-[2-(3-ethyloxiran-2-yl)propyl]pyridine (CID 83930025) is 2-[2-(3-ethyloxiran-2-yl)propyl]pyridine.
What is the SMILES notation for 2-[2-(3-ethyloxiran-2-yl)propyl]pyridine?
The canonical SMILES for 2-[2-(3-ethyloxiran-2-yl)propyl]pyridine is CCC1OC1C(C)Cc1ccccn1.
What is the InChIKey of 2-[2-(3-ethyloxiran-2-yl)propyl]pyridine?
The InChIKey is MOUZPLRATQOIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-11-12(14-11)9(2)8-10-6-4-5-7-13-10/h4-7,9,11-12H,3,8H2,1-2H3.
What are the key properties of 2-[2-(3-ethyloxiran-2-yl)propyl]pyridine?
2-[2-(3-ethyloxiran-2-yl)propyl]pyridine has a molecular weight of 191.27 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-ethyloxiran-2-yl)propyl]pyridine is sourced from PubChem (CID 83930025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).