(3R,9aS)-2,3,9,9a-tetrahydro-1H-cyclopenta[b]quinolin-3-ol

C12H13NO — CID 716090

IUPAC(3R,9aS)-2,3,9,9a-tetrahydro-1H-cyclopenta[b]quinolin-3-ol
SMILESO[C@@H]1CC[C@H]2Cc3ccccc3N=C21
InChIInChI=1S/C12H13NO/c14-11-6-5-9-7-8-3-1-2-4-10(8)13-12(9)11/h1-4,9,11,14H,5-7H2/t9-,11+/m0/s1
InChIKeyMIZSFZKQXWERSO-GXSJLCMTSA-N
MW187.24 g/mol
LogP2.09
Rot. Bonds

About (3R,9aS)-2,3,9,9a-tetrahydro-1H-cyclopenta[b]quinolin-3-ol

(3R,9aS)-2,3,9,9a-tetrahydro-1H-cyclopenta[b]quinolin-3-ol (PubChem CID 716090) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is (3R,9aS)-2,3,9,9a-tetrahydro-1H-cyclopenta[b]quinolin-3-ol.

Molecular Properties

Compound Name(3R,9aS)-2,3,9,9a-tetrahydro-1H-cyclopenta[b]quinolin-3-ol
PubChem CID716090
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name(3R,9aS)-2,3,9,9a-tetrahydro-1H-cyclopenta[b]quinolin-3-ol
SMILESO[C@@H]1CC[C@H]2Cc3ccccc3N=C21
InChIInChI=1S/C12H13NO/c14-11-6-5-9-7-8-3-1-2-4-10(8)13-12(9)11/h1-4,9,11,14H,5-7H2/t9-,11+/m0/s1
InChIKeyMIZSFZKQXWERSO-GXSJLCMTSA-N
XLogP2.09
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,9aS)-2,3,9,9a-tetrahydro-1H-cyclopenta[b]quinolin-3-ol?
The IUPAC name of (3R,9aS)-2,3,9,9a-tetrahydro-1H-cyclopenta[b]quinolin-3-ol (CID 716090) is (3R,9aS)-2,3,9,9a-tetrahydro-1H-cyclopenta[b]quinolin-3-ol.
What is the SMILES notation for (3R,9aS)-2,3,9,9a-tetrahydro-1H-cyclopenta[b]quinolin-3-ol?
The canonical SMILES for (3R,9aS)-2,3,9,9a-tetrahydro-1H-cyclopenta[b]quinolin-3-ol is O[C@@H]1CC[C@H]2Cc3ccccc3N=C21.
What is the InChIKey of (3R,9aS)-2,3,9,9a-tetrahydro-1H-cyclopenta[b]quinolin-3-ol?
The InChIKey is MIZSFZKQXWERSO-GXSJLCMTSA-N. The full InChI is InChI=1S/C12H13NO/c14-11-6-5-9-7-8-3-1-2-4-10(8)13-12(9)11/h1-4,9,11,14H,5-7H2/t9-,11+/m0/s1.
What are the key properties of (3R,9aS)-2,3,9,9a-tetrahydro-1H-cyclopenta[b]quinolin-3-ol?
(3R,9aS)-2,3,9,9a-tetrahydro-1H-cyclopenta[b]quinolin-3-ol has a molecular weight of 187.24 g/mol, XLogP of 2.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,9aS)-2,3,9,9a-tetrahydro-1H-cyclopenta[b]quinolin-3-ol is sourced from PubChem (CID 716090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).