2-[(2S)-pyrrolidin-2-yl]-3a,7a-dihydro-3H-indole

C12H16N2 — CID 123606898

IUPAC2-[(2S)-pyrrolidin-2-yl]-3a,7a-dihydro-3H-indole
SMILESC1=CC2CC([C@@H]3CCCN3)=NC2C=C1
InChIInChI=1S/C12H16N2/c1-2-5-10-9(4-1)8-12(14-10)11-6-3-7-13-11/h1-2,4-5,9-11,13H,3,6-8H2/t9?,10?,11-/m0/s1
InChIKeyMVWPPDIMJFSMLS-ILDUYXDCSA-N
MW188.27 g/mol
LogP1.69
Rot. Bonds1

About 2-[(2S)-pyrrolidin-2-yl]-3a,7a-dihydro-3H-indole

2-[(2S)-pyrrolidin-2-yl]-3a,7a-dihydro-3H-indole (PubChem CID 123606898) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-[(2S)-pyrrolidin-2-yl]-3a,7a-dihydro-3H-indole.

Molecular Properties

Compound Name2-[(2S)-pyrrolidin-2-yl]-3a,7a-dihydro-3H-indole
PubChem CID123606898
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name2-[(2S)-pyrrolidin-2-yl]-3a,7a-dihydro-3H-indole
SMILESC1=CC2CC([C@@H]3CCCN3)=NC2C=C1
InChIInChI=1S/C12H16N2/c1-2-5-10-9(4-1)8-12(14-10)11-6-3-7-13-11/h1-2,4-5,9-11,13H,3,6-8H2/t9?,10?,11-/m0/s1
InChIKeyMVWPPDIMJFSMLS-ILDUYXDCSA-N
XLogP1.69
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-difluorocyclohexa-1,3-dien-1-yl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine
CID 123527109
(2R)-1-(2,3,7,7a-tetrahydro-1H-indol-3-yl)propan-2-amine
CID 146035529
4,4a,5,5a,9a,9b-hexahydro-1H-pyrido[4,3-b]indole
CID 54388499
(4aR,9bR)-4,4a,5,5a,8,9,9a,9b-octahydro-1H-pyrido[4,3-b]indole
CID 54422277
4,4a,5,5a,8,9,9a,9b-octahydro-1H-pyrido[4,3-b]indole
CID 54422278
6,16-Diazatetracyclo[7.6.1.02,7.010,15]hexadeca-3,6,10,12-tetraene
CID 56994580
3,4a,4b,8a,9,9a-Hexahydrocarbazol-4-imine
CID 57108702
(2S)-2-(3a,7a-dihydro-1H-inden-2-yl)pyrrolidine
CID 58044754
1,2,3,3a,4,5,5a,5b-Octahydropyrrolo[3,2-a]carbazole
CID 70290535
2-pyrrolidin-2-yl-3a,7a-dihydro-3H-indole
CID 90710165
2,3,3a,4,6,9,9a,9b-octahydro-1H-pyrrolo[3,4-c]quinoline
CID 90724743
1,2,3,5a,5b,9a-Hexahydroazepino[3,4-b]indole
CID 91257589

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-pyrrolidin-2-yl]-3a,7a-dihydro-3H-indole?
The IUPAC name of 2-[(2S)-pyrrolidin-2-yl]-3a,7a-dihydro-3H-indole (CID 123606898) is 2-[(2S)-pyrrolidin-2-yl]-3a,7a-dihydro-3H-indole.
What is the SMILES notation for 2-[(2S)-pyrrolidin-2-yl]-3a,7a-dihydro-3H-indole?
The canonical SMILES for 2-[(2S)-pyrrolidin-2-yl]-3a,7a-dihydro-3H-indole is C1=CC2CC([C@@H]3CCCN3)=NC2C=C1.
What is the InChIKey of 2-[(2S)-pyrrolidin-2-yl]-3a,7a-dihydro-3H-indole?
The InChIKey is MVWPPDIMJFSMLS-ILDUYXDCSA-N. The full InChI is InChI=1S/C12H16N2/c1-2-5-10-9(4-1)8-12(14-10)11-6-3-7-13-11/h1-2,4-5,9-11,13H,3,6-8H2/t9?,10?,11-/m0/s1.
What are the key properties of 2-[(2S)-pyrrolidin-2-yl]-3a,7a-dihydro-3H-indole?
2-[(2S)-pyrrolidin-2-yl]-3a,7a-dihydro-3H-indole has a molecular weight of 188.27 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-pyrrolidin-2-yl]-3a,7a-dihydro-3H-indole is sourced from PubChem (CID 123606898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).