[1-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-3-yl]methanol

C14H19NO — CID 64863294

IUPAC[1-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-3-yl]methanol
SMILESOCC1CCN(c2ccc3c(c2)CCC3)C1
InChIInChI=1S/C14H19NO/c16-10-11-6-7-15(9-11)14-5-4-12-2-1-3-13(12)8-14/h4-5,8,11,16H,1-3,6-7,9-10H2
InChIKeyOULXRWZBQABAPH-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.99
Rot. Bonds2

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

[1-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-3-yl]methanol (PubChem CID 64863294) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is [1-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-3-yl]methanol
PubChem CID64863294
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name[1-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-3-yl]methanol
SMILESOCC1CCN(c2ccc3c(c2)CCC3)C1
InChIInChI=1S/C14H19NO/c16-10-11-6-7-15(9-11)14-5-4-12-2-1-3-13(12)8-14/h4-5,8,11,16H,1-3,6-7,9-10H2
InChIKeyOULXRWZBQABAPH-UHFFFAOYSA-N
XLogP1.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-3-yl]methanol (CID 64863294) is [1-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-3-yl]methanol is OCC1CCN(c2ccc3c(c2)CCC3)C1.
What is the InChIKey of [1-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-3-yl]methanol?
The InChIKey is OULXRWZBQABAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c16-10-11-6-7-15(9-11)14-5-4-12-2-1-3-13(12)8-14/h4-5,8,11,16H,1-3,6-7,9-10H2.
What are the key properties of [1-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-3-yl]methanol?
[1-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-3-yl]methanol has a molecular weight of 217.31 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 64863294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).