3-[1-(5-amino-2,3-dihydro-1H-inden-1-yl)pyrrolidin-2-yl]propan-1-ol

C16H24N2O — CID 79741638

IUPAC3-[1-(5-amino-2,3-dihydro-1H-inden-1-yl)pyrrolidin-2-yl]propan-1-ol
SMILESNc1ccc2c(c1)CCC2N1CCCC1CCCO
InChIInChI=1S/C16H24N2O/c17-13-6-7-15-12(11-13)5-8-16(15)18-9-1-3-14(18)4-2-10-19/h6-7,11,14,16,19H,1-5,8-10,17H2
InChIKeyJVESSSBRHWVHGN-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.49
Rot. Bonds4

About 3-[1-(5-amino-2,3-dihydro-1H-inden-1-yl)pyrrolidin-2-yl]propan-1-ol

3-[1-(5-amino-2,3-dihydro-1H-inden-1-yl)pyrrolidin-2-yl]propan-1-ol (PubChem CID 79741638) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-[1-(5-amino-2,3-dihydro-1H-inden-1-yl)pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(5-amino-2,3-dihydro-1H-inden-1-yl)pyrrolidin-2-yl]propan-1-ol
PubChem CID79741638
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-[1-(5-amino-2,3-dihydro-1H-inden-1-yl)pyrrolidin-2-yl]propan-1-ol
SMILESNc1ccc2c(c1)CCC2N1CCCC1CCCO
InChIInChI=1S/C16H24N2O/c17-13-6-7-15-12(11-13)5-8-16(15)18-9-1-3-14(18)4-2-10-19/h6-7,11,14,16,19H,1-5,8-10,17H2
InChIKeyJVESSSBRHWVHGN-UHFFFAOYSA-N
XLogP2.49
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-amino-2,3-dihydro-1H-inden-1-yl)pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(5-amino-2,3-dihydro-1H-inden-1-yl)pyrrolidin-2-yl]propan-1-ol (CID 79741638) is 3-[1-(5-amino-2,3-dihydro-1H-inden-1-yl)pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(5-amino-2,3-dihydro-1H-inden-1-yl)pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(5-amino-2,3-dihydro-1H-inden-1-yl)pyrrolidin-2-yl]propan-1-ol is Nc1ccc2c(c1)CCC2N1CCCC1CCCO.
What is the InChIKey of 3-[1-(5-amino-2,3-dihydro-1H-inden-1-yl)pyrrolidin-2-yl]propan-1-ol?
The InChIKey is JVESSSBRHWVHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c17-13-6-7-15-12(11-13)5-8-16(15)18-9-1-3-14(18)4-2-10-19/h6-7,11,14,16,19H,1-5,8-10,17H2.
What are the key properties of 3-[1-(5-amino-2,3-dihydro-1H-inden-1-yl)pyrrolidin-2-yl]propan-1-ol?
3-[1-(5-amino-2,3-dihydro-1H-inden-1-yl)pyrrolidin-2-yl]propan-1-ol has a molecular weight of 260.38 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-amino-2,3-dihydro-1H-inden-1-yl)pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 79741638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).