4-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-inden-5-amine

C13H18N2 — CID 66518533

IUPAC4-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-inden-5-amine
SMILESNc1ccc2c(c1[C@@H]1CCCN1)CCC2
InChIInChI=1S/C13H18N2/c14-11-7-6-9-3-1-4-10(9)13(11)12-5-2-8-15-12/h6-7,12,15H,1-5,8,14H2/t12-/m0/s1
InChIKeyBPOYKKWFDUHGJG-LBPRGKRZSA-N
MW202.30 g/mol
LogP2.18
Rot. Bonds1

About 4-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-inden-5-amine

4-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-inden-5-amine (PubChem CID 66518533) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 4-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-inden-5-amine.

Molecular Properties

Compound Name4-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-inden-5-amine
PubChem CID66518533
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name4-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-inden-5-amine
SMILESNc1ccc2c(c1[C@@H]1CCCN1)CCC2
InChIInChI=1S/C13H18N2/c14-11-7-6-9-3-1-4-10(9)13(11)12-5-2-8-15-12/h6-7,12,15H,1-5,8,14H2/t12-/m0/s1
InChIKeyBPOYKKWFDUHGJG-LBPRGKRZSA-N
XLogP2.18
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-inden-5-amine?
The IUPAC name of 4-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-inden-5-amine (CID 66518533) is 4-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-inden-5-amine.
What is the SMILES notation for 4-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-inden-5-amine?
The canonical SMILES for 4-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-inden-5-amine is Nc1ccc2c(c1[C@@H]1CCCN1)CCC2.
What is the InChIKey of 4-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-inden-5-amine?
The InChIKey is BPOYKKWFDUHGJG-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18N2/c14-11-7-6-9-3-1-4-10(9)13(11)12-5-2-8-15-12/h6-7,12,15H,1-5,8,14H2/t12-/m0/s1.
What are the key properties of 4-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-inden-5-amine?
4-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-inden-5-amine has a molecular weight of 202.30 g/mol, XLogP of 2.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 66518533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).