(4-propan-2-yl-6-propyl-5,7-dihydrocyclopenta[b]pyridin-6-yl)methanol

C15H23NO — CID 158389278

IUPAC(4-propan-2-yl-6-propyl-5,7-dihydrocyclopenta[b]pyridin-6-yl)methanol
SMILESCCCC1(CO)Cc2nccc(C(C)C)c2C1
InChIInChI=1S/C15H23NO/c1-4-6-15(10-17)8-13-12(11(2)3)5-7-16-14(13)9-15/h5,7,11,17H,4,6,8-10H2,1-3H3
InChIKeyGWTCCWNERYLOOR-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.08
Rot. Bonds4

About (4-propan-2-yl-6-propyl-5,7-dihydrocyclopenta[b]pyridin-6-yl)methanol

(4-propan-2-yl-6-propyl-5,7-dihydrocyclopenta[b]pyridin-6-yl)methanol (PubChem CID 158389278) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is (4-propan-2-yl-6-propyl-5,7-dihydrocyclopenta[b]pyridin-6-yl)methanol.

Molecular Properties

Compound Name(4-propan-2-yl-6-propyl-5,7-dihydrocyclopenta[b]pyridin-6-yl)methanol
PubChem CID158389278
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name(4-propan-2-yl-6-propyl-5,7-dihydrocyclopenta[b]pyridin-6-yl)methanol
SMILESCCCC1(CO)Cc2nccc(C(C)C)c2C1
InChIInChI=1S/C15H23NO/c1-4-6-15(10-17)8-13-12(11(2)3)5-7-16-14(13)9-15/h5,7,11,17H,4,6,8-10H2,1-3H3
InChIKeyGWTCCWNERYLOOR-UHFFFAOYSA-N
XLogP3.08
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-propan-2-yl-6-propyl-5,7-dihydrocyclopenta[b]pyridin-6-yl)methanol?
The IUPAC name of (4-propan-2-yl-6-propyl-5,7-dihydrocyclopenta[b]pyridin-6-yl)methanol (CID 158389278) is (4-propan-2-yl-6-propyl-5,7-dihydrocyclopenta[b]pyridin-6-yl)methanol.
What is the SMILES notation for (4-propan-2-yl-6-propyl-5,7-dihydrocyclopenta[b]pyridin-6-yl)methanol?
The canonical SMILES for (4-propan-2-yl-6-propyl-5,7-dihydrocyclopenta[b]pyridin-6-yl)methanol is CCCC1(CO)Cc2nccc(C(C)C)c2C1.
What is the InChIKey of (4-propan-2-yl-6-propyl-5,7-dihydrocyclopenta[b]pyridin-6-yl)methanol?
The InChIKey is GWTCCWNERYLOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-6-15(10-17)8-13-12(11(2)3)5-7-16-14(13)9-15/h5,7,11,17H,4,6,8-10H2,1-3H3.
What are the key properties of (4-propan-2-yl-6-propyl-5,7-dihydrocyclopenta[b]pyridin-6-yl)methanol?
(4-propan-2-yl-6-propyl-5,7-dihydrocyclopenta[b]pyridin-6-yl)methanol has a molecular weight of 233.35 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-yl-6-propyl-5,7-dihydrocyclopenta[b]pyridin-6-yl)methanol is sourced from PubChem (CID 158389278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).