(2S)-2-(3a,7a-dihydro-1H-inden-2-yl)pyrrolidine

C13H17N — CID 58044754

IUPAC(2S)-2-(3a,7a-dihydro-1H-inden-2-yl)pyrrolidine
SMILESC1=CC2C=C([C@@H]3CCCN3)CC2C=C1
InChIInChI=1S/C13H17N/c1-2-5-11-9-12(8-10(11)4-1)13-6-3-7-14-13/h1-2,4-5,8,10-11,13-14H,3,6-7,9H2/t10?,11?,13-/m0/s1
InChIKeyDIAIFEYRBZSMLQ-XIVSLSHWSA-N
MW187.29 g/mol
LogP2.43
Rot. Bonds1

About (2S)-2-(3a,7a-dihydro-1H-inden-2-yl)pyrrolidine

(2S)-2-(3a,7a-dihydro-1H-inden-2-yl)pyrrolidine (PubChem CID 58044754) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is (2S)-2-(3a,7a-dihydro-1H-inden-2-yl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(3a,7a-dihydro-1H-inden-2-yl)pyrrolidine
PubChem CID58044754
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name(2S)-2-(3a,7a-dihydro-1H-inden-2-yl)pyrrolidine
SMILESC1=CC2C=C([C@@H]3CCCN3)CC2C=C1
InChIInChI=1S/C13H17N/c1-2-5-11-9-12(8-10(11)4-1)13-6-3-7-14-13/h1-2,4-5,8,10-11,13-14H,3,6-7,9H2/t10?,11?,13-/m0/s1
InChIKeyDIAIFEYRBZSMLQ-XIVSLSHWSA-N
XLogP2.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2H-Benz(e)isoindoline, 3a,4,5,9b-tetrahydro-, hydrochloride, (Z)-
CID 108267
2,3,3a,7a-tetrahydro-1H-indole
CID 15821030
2,3,3a,4,5,7a-Hexahydroindole
CID 18426479
4b,8a,9,9a-tetrahydro-4aH-carbazole
CID 20247922
3,3a,4,4a,8a,8b-Hexahydrocyclopenta[b]indole
CID 22490754
2,3,4a,8a,9,9a-hexahydro-1H-benzo[f]isoindole
CID 54098426
Hexahydrocyclopentaindole
CID 68427717
Hexahydrocyclopenta[f]indole
CID 70115040
Hexahydrocycloheptindole
CID 129779532
(2R)-2-[(5-fluoro-4-methylcyclohexa-2,4-dien-1-yl)methyl]-4-methylpyrrolidine
CID 70867666
2-(4-Fluoro-3-methylcyclohex-3-en-1-yl)-3-(3-propan-2-yl-4-propylcyclohexa-1,5-dien-1-yl)pyrrolidine
CID 123157584
2-(4-Fluoro-3-methylcyclohexa-1,3-dien-1-yl)-3-(3-propan-2-yl-4-propylcyclohexen-1-yl)pyrrolidine
CID 123169673

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3a,7a-dihydro-1H-inden-2-yl)pyrrolidine?
The IUPAC name of (2S)-2-(3a,7a-dihydro-1H-inden-2-yl)pyrrolidine (CID 58044754) is (2S)-2-(3a,7a-dihydro-1H-inden-2-yl)pyrrolidine.
What is the SMILES notation for (2S)-2-(3a,7a-dihydro-1H-inden-2-yl)pyrrolidine?
The canonical SMILES for (2S)-2-(3a,7a-dihydro-1H-inden-2-yl)pyrrolidine is C1=CC2C=C([C@@H]3CCCN3)CC2C=C1.
What is the InChIKey of (2S)-2-(3a,7a-dihydro-1H-inden-2-yl)pyrrolidine?
The InChIKey is DIAIFEYRBZSMLQ-XIVSLSHWSA-N. The full InChI is InChI=1S/C13H17N/c1-2-5-11-9-12(8-10(11)4-1)13-6-3-7-14-13/h1-2,4-5,8,10-11,13-14H,3,6-7,9H2/t10?,11?,13-/m0/s1.
What are the key properties of (2S)-2-(3a,7a-dihydro-1H-inden-2-yl)pyrrolidine?
(2S)-2-(3a,7a-dihydro-1H-inden-2-yl)pyrrolidine has a molecular weight of 187.29 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3a,7a-dihydro-1H-inden-2-yl)pyrrolidine is sourced from PubChem (CID 58044754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).