1-(1-ethylazetidin-3-yl)-2,5-dimethylpyrrole

C11H18N2 — CID 126993440

IUPAC1-(1-ethylazetidin-3-yl)-2,5-dimethylpyrrole
SMILESCCN1CC(n2c(C)ccc2C)C1
InChIInChI=1S/C11H18N2/c1-4-12-7-11(8-12)13-9(2)5-6-10(13)3/h5-6,11H,4,7-8H2,1-3H3
InChIKeyGDNAPELXAWDJAA-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.98
Rot. Bonds2

About 1-(1-ethylazetidin-3-yl)-2,5-dimethylpyrrole

1-(1-ethylazetidin-3-yl)-2,5-dimethylpyrrole (PubChem CID 126993440) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-(1-ethylazetidin-3-yl)-2,5-dimethylpyrrole.

Molecular Properties

Compound Name1-(1-ethylazetidin-3-yl)-2,5-dimethylpyrrole
PubChem CID126993440
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-(1-ethylazetidin-3-yl)-2,5-dimethylpyrrole
SMILESCCN1CC(n2c(C)ccc2C)C1
InChIInChI=1S/C11H18N2/c1-4-12-7-11(8-12)13-9(2)5-6-10(13)3/h5-6,11H,4,7-8H2,1-3H3
InChIKeyGDNAPELXAWDJAA-UHFFFAOYSA-N
XLogP1.98
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-1-(1-ethylazetidin-3-yl)pyrazole
CID 105487452
1-ethylazetidin-3-ol;hydrochloride
CID 57415896
3-ethyl-8-iodo-3,8-diazabicyclo[3.2.1]octane
CID 134516695
2,5-dimethyl-1-(thiolan-3-yl)pyrrole
CID 103064400
(1R,5S)-3-ethyl-6-phenyl-3-azabicyclo[3.1.0]hexane
CID 70451157
(3R)-1-ethyl-3,4-dimethylpyrrolidine
CID 144761230
1-(1-ethylazetidin-3-yl)piperidine
CID 69087799
(3R,5S)-1-ethylpiperidine-3,5-diol
CID 96570686
benzene;1-ethyl-3-methylazetidine
CID 178088401
carbanide;ethane;1-ethyl-3-(1-ethylazetidin-3-yl)imidazo[4,5-b]pyridin-2-one;tungsten
CID 157284445
(3Z,5Z)-3,5-bis[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methylidene]-1-ethylpiperidin-4-one
CID 2332670
3-ethyl-3-azabicyclo[3.1.0]hexane
CID 69176949

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylazetidin-3-yl)-2,5-dimethylpyrrole?
The IUPAC name of 1-(1-ethylazetidin-3-yl)-2,5-dimethylpyrrole (CID 126993440) is 1-(1-ethylazetidin-3-yl)-2,5-dimethylpyrrole.
What is the SMILES notation for 1-(1-ethylazetidin-3-yl)-2,5-dimethylpyrrole?
The canonical SMILES for 1-(1-ethylazetidin-3-yl)-2,5-dimethylpyrrole is CCN1CC(n2c(C)ccc2C)C1.
What is the InChIKey of 1-(1-ethylazetidin-3-yl)-2,5-dimethylpyrrole?
The InChIKey is GDNAPELXAWDJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-4-12-7-11(8-12)13-9(2)5-6-10(13)3/h5-6,11H,4,7-8H2,1-3H3.
What are the key properties of 1-(1-ethylazetidin-3-yl)-2,5-dimethylpyrrole?
1-(1-ethylazetidin-3-yl)-2,5-dimethylpyrrole has a molecular weight of 178.28 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylazetidin-3-yl)-2,5-dimethylpyrrole is sourced from PubChem (CID 126993440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).