(10bR)-10b-methyl-2,3,4,6,7,8,9,10-octahydro-1H-cyclopenta[a]quinolizine

C13H21N — CID 1210945

IUPAC(10bR)-10b-methyl-2,3,4,6,7,8,9,10-octahydro-1H-cyclopenta[a]quinolizine
SMILESC[C@]12CCCCN1CCC1=C2CCC1
InChIInChI=1S/C13H21N/c1-13-8-2-3-9-14(13)10-7-11-5-4-6-12(11)13/h2-10H2,1H3/t13-/m1/s1
InChIKeyIFKMWVZKLQFYSE-CYBMUJFWSA-N
MW191.32 g/mol
LogP3.12
Rot. Bonds

About (10bR)-10b-methyl-2,3,4,6,7,8,9,10-octahydro-1H-cyclopenta[a]quinolizine

(10bR)-10b-methyl-2,3,4,6,7,8,9,10-octahydro-1H-cyclopenta[a]quinolizine (PubChem CID 1210945) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is (10bR)-10b-methyl-2,3,4,6,7,8,9,10-octahydro-1H-cyclopenta[a]quinolizine.

Molecular Properties

Compound Name(10bR)-10b-methyl-2,3,4,6,7,8,9,10-octahydro-1H-cyclopenta[a]quinolizine
PubChem CID1210945
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name(10bR)-10b-methyl-2,3,4,6,7,8,9,10-octahydro-1H-cyclopenta[a]quinolizine
SMILESC[C@]12CCCCN1CCC1=C2CCC1
InChIInChI=1S/C13H21N/c1-13-8-2-3-9-14(13)10-7-11-5-4-6-12(11)13/h2-10H2,1H3/t13-/m1/s1
InChIKeyIFKMWVZKLQFYSE-CYBMUJFWSA-N
XLogP3.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (10bR)-10b-methyl-2,3,4,6,7,8,9,10-octahydro-1H-cyclopenta[a]quinolizine?
The IUPAC name of (10bR)-10b-methyl-2,3,4,6,7,8,9,10-octahydro-1H-cyclopenta[a]quinolizine (CID 1210945) is (10bR)-10b-methyl-2,3,4,6,7,8,9,10-octahydro-1H-cyclopenta[a]quinolizine.
What is the SMILES notation for (10bR)-10b-methyl-2,3,4,6,7,8,9,10-octahydro-1H-cyclopenta[a]quinolizine?
The canonical SMILES for (10bR)-10b-methyl-2,3,4,6,7,8,9,10-octahydro-1H-cyclopenta[a]quinolizine is C[C@]12CCCCN1CCC1=C2CCC1.
What is the InChIKey of (10bR)-10b-methyl-2,3,4,6,7,8,9,10-octahydro-1H-cyclopenta[a]quinolizine?
The InChIKey is IFKMWVZKLQFYSE-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H21N/c1-13-8-2-3-9-14(13)10-7-11-5-4-6-12(11)13/h2-10H2,1H3/t13-/m1/s1.
What are the key properties of (10bR)-10b-methyl-2,3,4,6,7,8,9,10-octahydro-1H-cyclopenta[a]quinolizine?
(10bR)-10b-methyl-2,3,4,6,7,8,9,10-octahydro-1H-cyclopenta[a]quinolizine has a molecular weight of 191.32 g/mol, XLogP of 3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (10bR)-10b-methyl-2,3,4,6,7,8,9,10-octahydro-1H-cyclopenta[a]quinolizine is sourced from PubChem (CID 1210945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).