5-(2-methylpyrrolidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol

C15H21NO — CID 82982641

IUPAC5-(2-methylpyrrolidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCC1CCCN1C1CCCc2c(O)cccc21
InChIInChI=1S/C15H21NO/c1-11-5-4-10-16(11)14-8-2-7-13-12(14)6-3-9-15(13)17/h3,6,9,11,14,17H,2,4-5,7-8,10H2,1H3
InChIKeyPVTNPGGEVOJKCG-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.25
Rot. Bonds1

About 5-(2-methylpyrrolidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol

5-(2-methylpyrrolidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 82982641) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 5-(2-methylpyrrolidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name5-(2-methylpyrrolidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID82982641
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name5-(2-methylpyrrolidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCC1CCCN1C1CCCc2c(O)cccc21
InChIInChI=1S/C15H21NO/c1-11-5-4-10-16(11)14-8-2-7-13-12(14)6-3-9-15(13)17/h3,6,9,11,14,17H,2,4-5,7-8,10H2,1H3
InChIKeyPVTNPGGEVOJKCG-UHFFFAOYSA-N
XLogP3.25
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpyrrolidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of 5-(2-methylpyrrolidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol (CID 82982641) is 5-(2-methylpyrrolidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 5-(2-methylpyrrolidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for 5-(2-methylpyrrolidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol is CC1CCCN1C1CCCc2c(O)cccc21.
What is the InChIKey of 5-(2-methylpyrrolidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is PVTNPGGEVOJKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-11-5-4-10-16(11)14-8-2-7-13-12(14)6-3-9-15(13)17/h3,6,9,11,14,17H,2,4-5,7-8,10H2,1H3.
What are the key properties of 5-(2-methylpyrrolidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol?
5-(2-methylpyrrolidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 231.34 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpyrrolidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 82982641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).