1-cyclobutyl-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)propan-2-ol

C15H21NO — CID 113490186

IUPAC1-cyclobutyl-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)propan-2-ol
SMILESCC(O)(CC1CCC1)C1CCc2cccnc21
InChIInChI=1S/C15H21NO/c1-15(17,10-11-4-2-5-11)13-8-7-12-6-3-9-16-14(12)13/h3,6,9,11,13,17H,2,4-5,7-8,10H2,1H3
InChIKeyZKJWOKNBOIYLCF-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.05
Rot. Bonds3

About 1-cyclobutyl-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)propan-2-ol

1-cyclobutyl-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)propan-2-ol (PubChem CID 113490186) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-cyclobutyl-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)propan-2-ol.

Molecular Properties

Compound Name1-cyclobutyl-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)propan-2-ol
PubChem CID113490186
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-cyclobutyl-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)propan-2-ol
SMILESCC(O)(CC1CCC1)C1CCc2cccnc21
InChIInChI=1S/C15H21NO/c1-15(17,10-11-4-2-5-11)13-8-7-12-6-3-9-16-14(12)13/h3,6,9,11,13,17H,2,4-5,7-8,10H2,1H3
InChIKeyZKJWOKNBOIYLCF-UHFFFAOYSA-N
XLogP3.05
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)propan-1-ol
CID 79746233
2-(5,6,7,8-tetrahydroquinolin-8-yl)propan-2-ol
CID 79740095
1-(cyclopropylamino)-2-(5,6,7,8-tetrahydroquinolin-8-yl)propan-2-ol
CID 79738513
4-[1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-hydroxyethyl]phenol
CID 83075608
4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-methylpentan-2-amine
CID 79738392
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(4-methylphenyl)ethanamine
CID 79745712
1-(1-benzothiophen-2-yl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol
CID 114910890
2-methyl-1-(5,6,7,8-tetrahydroquinolin-8-ylamino)propan-2-ol
CID 79078513
8-(4-bromo-2-methylpentan-2-yl)-5,6,7,8-tetrahydroquinoline
CID 79738706
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(3-methylphenyl)ethanamine
CID 79745140
1-phenyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanamine
CID 79745553
2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-2-methylpropane-1,3-diol
CID 102774114

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)propan-2-ol?
The IUPAC name of 1-cyclobutyl-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)propan-2-ol (CID 113490186) is 1-cyclobutyl-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)propan-2-ol.
What is the SMILES notation for 1-cyclobutyl-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)propan-2-ol?
The canonical SMILES for 1-cyclobutyl-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)propan-2-ol is CC(O)(CC1CCC1)C1CCc2cccnc21.
What is the InChIKey of 1-cyclobutyl-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)propan-2-ol?
The InChIKey is ZKJWOKNBOIYLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-15(17,10-11-4-2-5-11)13-8-7-12-6-3-9-16-14(12)13/h3,6,9,11,13,17H,2,4-5,7-8,10H2,1H3.
What are the key properties of 1-cyclobutyl-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)propan-2-ol?
1-cyclobutyl-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)propan-2-ol has a molecular weight of 231.34 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)propan-2-ol is sourced from PubChem (CID 113490186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).