1-ethyl-2-[(2S)-pyrrolidin-2-yl]pyrrole

C10H16N2 — CID 100589849

IUPAC1-ethyl-2-[(2S)-pyrrolidin-2-yl]pyrrole
SMILESCCn1cccc1[C@@H]1CCCN1
InChIInChI=1S/C10H16N2/c1-2-12-8-4-6-10(12)9-5-3-7-11-9/h4,6,8-9,11H,2-3,5,7H2,1H3/t9-/m0/s1
InChIKeyUHRMZJZUYMKXHP-VIFPVBQESA-N
MW164.25 g/mol
LogP1.93
Rot. Bonds2

About 1-ethyl-2-[(2S)-pyrrolidin-2-yl]pyrrole

1-ethyl-2-[(2S)-pyrrolidin-2-yl]pyrrole (PubChem CID 100589849) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-ethyl-2-[(2S)-pyrrolidin-2-yl]pyrrole.

Molecular Properties

Compound Name1-ethyl-2-[(2S)-pyrrolidin-2-yl]pyrrole
PubChem CID100589849
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name1-ethyl-2-[(2S)-pyrrolidin-2-yl]pyrrole
SMILESCCn1cccc1[C@@H]1CCCN1
InChIInChI=1S/C10H16N2/c1-2-12-8-4-6-10(12)9-5-3-7-11-9/h4,6,8-9,11H,2-3,5,7H2,1H3/t9-/m0/s1
InChIKeyUHRMZJZUYMKXHP-VIFPVBQESA-N
XLogP1.93
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 150155525
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1-ethyl-3-methyl-5-[(2S)-pyrrolidin-2-yl]pyrazole
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1-ethyl-2-[(2S)-piperidin-2-yl]indole
CID 97181724
1-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide
CID 104971730
8-ethoxy-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 84750916
2-(2-pentan-3-ylphenyl)pyrrolidine
CID 83836318
1-(2-ethylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943987
8-methyl-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 84750908
2-(2-ethyl-6-fluorophenyl)pyrrolidine
CID 55295804
(2R)-2-(3-chloro-2-ethylphenyl)pyrrolidine
CID 130786361

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(2S)-pyrrolidin-2-yl]pyrrole?
The IUPAC name of 1-ethyl-2-[(2S)-pyrrolidin-2-yl]pyrrole (CID 100589849) is 1-ethyl-2-[(2S)-pyrrolidin-2-yl]pyrrole.
What is the SMILES notation for 1-ethyl-2-[(2S)-pyrrolidin-2-yl]pyrrole?
The canonical SMILES for 1-ethyl-2-[(2S)-pyrrolidin-2-yl]pyrrole is CCn1cccc1[C@@H]1CCCN1.
What is the InChIKey of 1-ethyl-2-[(2S)-pyrrolidin-2-yl]pyrrole?
The InChIKey is UHRMZJZUYMKXHP-VIFPVBQESA-N. The full InChI is InChI=1S/C10H16N2/c1-2-12-8-4-6-10(12)9-5-3-7-11-9/h4,6,8-9,11H,2-3,5,7H2,1H3/t9-/m0/s1.
What are the key properties of 1-ethyl-2-[(2S)-pyrrolidin-2-yl]pyrrole?
1-ethyl-2-[(2S)-pyrrolidin-2-yl]pyrrole has a molecular weight of 164.25 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(2S)-pyrrolidin-2-yl]pyrrole is sourced from PubChem (CID 100589849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).