3,5-dimethyl-2-[(2S)-pyrrolidin-2-yl]-1H-pyrrole

C10H16N2 — CID 55293321

IUPAC3,5-dimethyl-2-[(2S)-pyrrolidin-2-yl]-1H-pyrrole
SMILESCc1cc(C)c([C@@H]2CCCN2)[nH]1
InChIInChI=1S/C10H16N2/c1-7-6-8(2)12-10(7)9-4-3-5-11-9/h6,9,11-12H,3-5H2,1-2H3/t9-/m0/s1
InChIKeyWKTXEXKGOJKLDD-VIFPVBQESA-N
MW164.25 g/mol
LogP2.06
Rot. Bonds1

About 3,5-dimethyl-2-[(2S)-pyrrolidin-2-yl]-1H-pyrrole

3,5-dimethyl-2-[(2S)-pyrrolidin-2-yl]-1H-pyrrole (PubChem CID 55293321) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 3,5-dimethyl-2-[(2S)-pyrrolidin-2-yl]-1H-pyrrole.

Molecular Properties

Compound Name3,5-dimethyl-2-[(2S)-pyrrolidin-2-yl]-1H-pyrrole
PubChem CID55293321
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name3,5-dimethyl-2-[(2S)-pyrrolidin-2-yl]-1H-pyrrole
SMILESCc1cc(C)c([C@@H]2CCCN2)[nH]1
InChIInChI=1S/C10H16N2/c1-7-6-8(2)12-10(7)9-4-3-5-11-9/h6,9,11-12H,3-5H2,1-2H3/t9-/m0/s1
InChIKeyWKTXEXKGOJKLDD-VIFPVBQESA-N
XLogP2.06
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-6-[(2S)-pyrrolidin-2-yl]-1H-pyridin-4-one
CID 56838322
3,4,6-trimethyl-2-pyrrolidin-2-yl-1H-indole
CID 84625644
(2R)-2-(2,6-difluoro-3-methylphenyl)pyrrolidine
CID 66518496
(2R)-2-(4-methoxy-3,5-dimethylphenyl)pyrrolidine
CID 66518898
5,7-dimethyl-3-pyrrolidin-2-yl-1H-quinolin-2-one
CID 84630290
2,3,5-trimethyl-4-pyrrolidin-2-ylphenol
CID 117116773
2-(2,6-difluoro-3-methylphenyl)pyrrolidine;hydrochloride
CID 138040825
2-(4-chloro-2-methylphenyl)pyrrolidine
CID 55268605
2-methyl-5-[(2S)-pyrrolidin-2-yl]-1H-pyridin-4-one
CID 131137914
(2S)-2-(4-chloro-3-methylphenyl)pyrrolidine
CID 55253037
2-methyl-4-pyrrolidin-2-ylphenol
CID 55283669
3,6-dimethyl-2-[(2S)-pyrrolidin-2-yl]phenol
CID 96751347

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[(2S)-pyrrolidin-2-yl]-1H-pyrrole?
The IUPAC name of 3,5-dimethyl-2-[(2S)-pyrrolidin-2-yl]-1H-pyrrole (CID 55293321) is 3,5-dimethyl-2-[(2S)-pyrrolidin-2-yl]-1H-pyrrole.
What is the SMILES notation for 3,5-dimethyl-2-[(2S)-pyrrolidin-2-yl]-1H-pyrrole?
The canonical SMILES for 3,5-dimethyl-2-[(2S)-pyrrolidin-2-yl]-1H-pyrrole is Cc1cc(C)c([C@@H]2CCCN2)[nH]1.
What is the InChIKey of 3,5-dimethyl-2-[(2S)-pyrrolidin-2-yl]-1H-pyrrole?
The InChIKey is WKTXEXKGOJKLDD-VIFPVBQESA-N. The full InChI is InChI=1S/C10H16N2/c1-7-6-8(2)12-10(7)9-4-3-5-11-9/h6,9,11-12H,3-5H2,1-2H3/t9-/m0/s1.
What are the key properties of 3,5-dimethyl-2-[(2S)-pyrrolidin-2-yl]-1H-pyrrole?
3,5-dimethyl-2-[(2S)-pyrrolidin-2-yl]-1H-pyrrole has a molecular weight of 164.25 g/mol, XLogP of 2.06, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[(2S)-pyrrolidin-2-yl]-1H-pyrrole is sourced from PubChem (CID 55293321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).