3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidin-3-ol

C15H21NO — CID 63772132

IUPAC3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidin-3-ol
SMILESOC1(CC2CCCc3ccccc32)CCNC1
InChIInChI=1S/C15H21NO/c17-15(8-9-16-11-15)10-13-6-3-5-12-4-1-2-7-14(12)13/h1-2,4,7,13,16-17H,3,5-6,8-11H2
InChIKeyXKFBJKJRVRHRDS-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.22
Rot. Bonds2

About 3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidin-3-ol

3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidin-3-ol (PubChem CID 63772132) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidin-3-ol
PubChem CID63772132
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidin-3-ol
SMILESOC1(CC2CCCc3ccccc32)CCNC1
InChIInChI=1S/C15H21NO/c17-15(8-9-16-11-15)10-13-6-3-5-12-4-1-2-7-14(12)13/h1-2,4,7,13,16-17H,3,5-6,8-11H2
InChIKeyXKFBJKJRVRHRDS-UHFFFAOYSA-N
XLogP2.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of 3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidin-3-ol (CID 63772132) is 3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for 3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for 3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidin-3-ol is OC1(CC2CCCc3ccccc32)CCNC1.
What is the InChIKey of 3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidin-3-ol?
The InChIKey is XKFBJKJRVRHRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c17-15(8-9-16-11-15)10-13-6-3-5-12-4-1-2-7-14(12)13/h1-2,4,7,13,16-17H,3,5-6,8-11H2.
What are the key properties of 3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidin-3-ol?
3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidin-3-ol has a molecular weight of 231.34 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 63772132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).