3-(3-aminopyrrolidin-1-yl)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol

C15H22N2O — CID 62068867

IUPAC3-(3-aminopyrrolidin-1-yl)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
SMILESCc1ccc(O)c2c1C(C)CC2N1CCC(N)C1
InChIInChI=1S/C15H22N2O/c1-9-3-4-13(18)15-12(7-10(2)14(9)15)17-6-5-11(16)8-17/h3-4,10-12,18H,5-8,16H2,1-2H3
InChIKeyMTZHSRFENLIDCP-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.28
Rot. Bonds1

About 3-(3-aminopyrrolidin-1-yl)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol

3-(3-aminopyrrolidin-1-yl)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol (PubChem CID 62068867) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-(3-aminopyrrolidin-1-yl)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name3-(3-aminopyrrolidin-1-yl)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
PubChem CID62068867
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-(3-aminopyrrolidin-1-yl)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
SMILESCc1ccc(O)c2c1C(C)CC2N1CCC(N)C1
InChIInChI=1S/C15H22N2O/c1-9-3-4-13(18)15-12(7-10(2)14(9)15)17-6-5-11(16)8-17/h3-4,10-12,18H,5-8,16H2,1-2H3
InChIKeyMTZHSRFENLIDCP-UHFFFAOYSA-N
XLogP2.28
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopyrrolidin-1-yl)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 3-(3-aminopyrrolidin-1-yl)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol (CID 62068867) is 3-(3-aminopyrrolidin-1-yl)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 3-(3-aminopyrrolidin-1-yl)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 3-(3-aminopyrrolidin-1-yl)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol is Cc1ccc(O)c2c1C(C)CC2N1CCC(N)C1.
What is the InChIKey of 3-(3-aminopyrrolidin-1-yl)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol?
The InChIKey is MTZHSRFENLIDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-9-3-4-13(18)15-12(7-10(2)14(9)15)17-6-5-11(16)8-17/h3-4,10-12,18H,5-8,16H2,1-2H3.
What are the key properties of 3-(3-aminopyrrolidin-1-yl)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol?
3-(3-aminopyrrolidin-1-yl)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol has a molecular weight of 246.35 g/mol, XLogP of 2.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopyrrolidin-1-yl)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 62068867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).