(7aR,10aS,10bS)-2-methyl-4,6,7,7a,8,9,10,10b-octahydro-3H-cyclopenta[a]quinolizin-10a-ol

C13H21NO — CID 10899801

IUPAC(7aR,10aS,10bS)-2-methyl-4,6,7,7a,8,9,10,10b-octahydro-3H-cyclopenta[a]quinolizin-10a-ol
SMILESCC1=C[C@@H]2N(CC1)CC[C@H]1CCC[C@]12O
InChIInChI=1S/C13H21NO/c1-10-4-7-14-8-5-11-3-2-6-13(11,15)12(14)9-10/h9,11-12,15H,2-8H2,1H3/t11-,12+,13+/m1/s1
InChIKeyCGQMIDLUNNZGQE-AGIUHOORSA-N
MW207.32 g/mol
LogP1.94
Rot. Bonds

About (7aR,10aS,10bS)-2-methyl-4,6,7,7a,8,9,10,10b-octahydro-3H-cyclopenta[a]quinolizin-10a-ol

(7aR,10aS,10bS)-2-methyl-4,6,7,7a,8,9,10,10b-octahydro-3H-cyclopenta[a]quinolizin-10a-ol (PubChem CID 10899801) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (7aR,10aS,10bS)-2-methyl-4,6,7,7a,8,9,10,10b-octahydro-3H-cyclopenta[a]quinolizin-10a-ol.

Molecular Properties

Compound Name(7aR,10aS,10bS)-2-methyl-4,6,7,7a,8,9,10,10b-octahydro-3H-cyclopenta[a]quinolizin-10a-ol
PubChem CID10899801
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(7aR,10aS,10bS)-2-methyl-4,6,7,7a,8,9,10,10b-octahydro-3H-cyclopenta[a]quinolizin-10a-ol
SMILESCC1=C[C@@H]2N(CC1)CC[C@H]1CCC[C@]12O
InChIInChI=1S/C13H21NO/c1-10-4-7-14-8-5-11-3-2-6-13(11,15)12(14)9-10/h9,11-12,15H,2-8H2,1H3/t11-,12+,13+/m1/s1
InChIKeyCGQMIDLUNNZGQE-AGIUHOORSA-N
XLogP1.94
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (7aR,10aS,10bS)-2-methyl-4,6,7,7a,8,9,10,10b-octahydro-3H-cyclopenta[a]quinolizin-10a-ol?
The IUPAC name of (7aR,10aS,10bS)-2-methyl-4,6,7,7a,8,9,10,10b-octahydro-3H-cyclopenta[a]quinolizin-10a-ol (CID 10899801) is (7aR,10aS,10bS)-2-methyl-4,6,7,7a,8,9,10,10b-octahydro-3H-cyclopenta[a]quinolizin-10a-ol.
What is the SMILES notation for (7aR,10aS,10bS)-2-methyl-4,6,7,7a,8,9,10,10b-octahydro-3H-cyclopenta[a]quinolizin-10a-ol?
The canonical SMILES for (7aR,10aS,10bS)-2-methyl-4,6,7,7a,8,9,10,10b-octahydro-3H-cyclopenta[a]quinolizin-10a-ol is CC1=C[C@@H]2N(CC1)CC[C@H]1CCC[C@]12O.
What is the InChIKey of (7aR,10aS,10bS)-2-methyl-4,6,7,7a,8,9,10,10b-octahydro-3H-cyclopenta[a]quinolizin-10a-ol?
The InChIKey is CGQMIDLUNNZGQE-AGIUHOORSA-N. The full InChI is InChI=1S/C13H21NO/c1-10-4-7-14-8-5-11-3-2-6-13(11,15)12(14)9-10/h9,11-12,15H,2-8H2,1H3/t11-,12+,13+/m1/s1.
What are the key properties of (7aR,10aS,10bS)-2-methyl-4,6,7,7a,8,9,10,10b-octahydro-3H-cyclopenta[a]quinolizin-10a-ol?
(7aR,10aS,10bS)-2-methyl-4,6,7,7a,8,9,10,10b-octahydro-3H-cyclopenta[a]quinolizin-10a-ol has a molecular weight of 207.32 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR,10aS,10bS)-2-methyl-4,6,7,7a,8,9,10,10b-octahydro-3H-cyclopenta[a]quinolizin-10a-ol is sourced from PubChem (CID 10899801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).