7-tert-butyl-5,6-dihydrocyclopenta[b]pyridin-7-ol

C12H17NO — CID 155363852

IUPAC7-tert-butyl-5,6-dihydrocyclopenta[b]pyridin-7-ol
SMILESCC(C)(C)C1(O)CCc2cccnc21
InChIInChI=1S/C12H17NO/c1-11(2,3)12(14)7-6-9-5-4-8-13-10(9)12/h4-5,8,14H,6-7H2,1-3H3
InChIKeyRTDDNFIMKQBGAS-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.26
Rot. Bonds

About 7-tert-butyl-5,6-dihydrocyclopenta[b]pyridin-7-ol

7-tert-butyl-5,6-dihydrocyclopenta[b]pyridin-7-ol (PubChem CID 155363852) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 7-tert-butyl-5,6-dihydrocyclopenta[b]pyridin-7-ol.

Molecular Properties

Compound Name7-tert-butyl-5,6-dihydrocyclopenta[b]pyridin-7-ol
PubChem CID155363852
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name7-tert-butyl-5,6-dihydrocyclopenta[b]pyridin-7-ol
SMILESCC(C)(C)C1(O)CCc2cccnc21
InChIInChI=1S/C12H17NO/c1-11(2,3)12(14)7-6-9-5-4-8-13-10(9)12/h4-5,8,14H,6-7H2,1-3H3
InChIKeyRTDDNFIMKQBGAS-UHFFFAOYSA-N
XLogP2.26
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-ethyl-5,6-dihydrocyclopenta[b]pyridin-7-ol
CID 90296462
7-(2-methylpropyl)-5,6-dihydrocyclopenta[b]pyridin-7-ol
CID 90293921
[(8R)-8-methyl-6,7-dihydro-5H-quinolin-8-yl]methanol
CID 154608477
spiro[1,2-dihydroindene-3,7'-5,6-dihydrocyclopenta[b]pyridine]
CID 59325833
methyl 7-amino-5,6-dihydrocyclopenta[b]pyridine-7-carboxylate
CID 83907472
2-(1-methylpiperidin-4-yl)-13-methylsulfanyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ol
CID 19747288
1-(3-chloro-2-pyridinyl)cyclopropan-1-ol
CID 174048880
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)cycloheptan-1-ol
CID 79739276
2-(5,6,7,8-tetrahydroquinolin-8-yl)propan-2-ol
CID 79740095
1-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexan-1-ol
CID 79739365
1-(3-methoxy-2-pyridinyl)-3,4-dimethylcyclohexan-1-ol
CID 114053631
1-(5,6,7,8-tetrahydroquinolin-8-yl)-3,4-dihydro-2H-naphthalen-1-ol
CID 79723609

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-5,6-dihydrocyclopenta[b]pyridin-7-ol?
The IUPAC name of 7-tert-butyl-5,6-dihydrocyclopenta[b]pyridin-7-ol (CID 155363852) is 7-tert-butyl-5,6-dihydrocyclopenta[b]pyridin-7-ol.
What is the SMILES notation for 7-tert-butyl-5,6-dihydrocyclopenta[b]pyridin-7-ol?
The canonical SMILES for 7-tert-butyl-5,6-dihydrocyclopenta[b]pyridin-7-ol is CC(C)(C)C1(O)CCc2cccnc21.
What is the InChIKey of 7-tert-butyl-5,6-dihydrocyclopenta[b]pyridin-7-ol?
The InChIKey is RTDDNFIMKQBGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-11(2,3)12(14)7-6-9-5-4-8-13-10(9)12/h4-5,8,14H,6-7H2,1-3H3.
What are the key properties of 7-tert-butyl-5,6-dihydrocyclopenta[b]pyridin-7-ol?
7-tert-butyl-5,6-dihydrocyclopenta[b]pyridin-7-ol has a molecular weight of 191.27 g/mol, XLogP of 2.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-5,6-dihydrocyclopenta[b]pyridin-7-ol is sourced from PubChem (CID 155363852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).