(3S,11bR)-3-methyl-2,3,4,6,7,8,9,10,11,11b-decahydro-1H-benzo[a]quinolizine

C14H23N — CID 7298939

IUPAC(3S,11bR)-3-methyl-2,3,4,6,7,8,9,10,11,11b-decahydro-1H-benzo[a]quinolizine
SMILESC[C@H]1CC[C@@H]2C3=C(CCCC3)CCN2C1
InChIInChI=1S/C14H23N/c1-11-6-7-14-13-5-3-2-4-12(13)8-9-15(14)10-11/h11,14H,2-10H2,1H3/t11-,14+/m0/s1
InChIKeyYOWPHHCBRMTILZ-SMDDNHRTSA-N
MW205.34 g/mol
LogP3.36
Rot. Bonds

About (3S,11bR)-3-methyl-2,3,4,6,7,8,9,10,11,11b-decahydro-1H-benzo[a]quinolizine

(3S,11bR)-3-methyl-2,3,4,6,7,8,9,10,11,11b-decahydro-1H-benzo[a]quinolizine (PubChem CID 7298939) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is (3S,11bR)-3-methyl-2,3,4,6,7,8,9,10,11,11b-decahydro-1H-benzo[a]quinolizine.

Molecular Properties

Compound Name(3S,11bR)-3-methyl-2,3,4,6,7,8,9,10,11,11b-decahydro-1H-benzo[a]quinolizine
PubChem CID7298939
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name(3S,11bR)-3-methyl-2,3,4,6,7,8,9,10,11,11b-decahydro-1H-benzo[a]quinolizine
SMILESC[C@H]1CC[C@@H]2C3=C(CCCC3)CCN2C1
InChIInChI=1S/C14H23N/c1-11-6-7-14-13-5-3-2-4-12(13)8-9-15(14)10-11/h11,14H,2-10H2,1H3/t11-,14+/m0/s1
InChIKeyYOWPHHCBRMTILZ-SMDDNHRTSA-N
XLogP3.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3S,11bR)-3-methyl-2,3,4,6,7,8,9,10,11,11b-decahydro-1H-benzo[a]quinolizine?
The IUPAC name of (3S,11bR)-3-methyl-2,3,4,6,7,8,9,10,11,11b-decahydro-1H-benzo[a]quinolizine (CID 7298939) is (3S,11bR)-3-methyl-2,3,4,6,7,8,9,10,11,11b-decahydro-1H-benzo[a]quinolizine.
What is the SMILES notation for (3S,11bR)-3-methyl-2,3,4,6,7,8,9,10,11,11b-decahydro-1H-benzo[a]quinolizine?
The canonical SMILES for (3S,11bR)-3-methyl-2,3,4,6,7,8,9,10,11,11b-decahydro-1H-benzo[a]quinolizine is C[C@H]1CC[C@@H]2C3=C(CCCC3)CCN2C1.
What is the InChIKey of (3S,11bR)-3-methyl-2,3,4,6,7,8,9,10,11,11b-decahydro-1H-benzo[a]quinolizine?
The InChIKey is YOWPHHCBRMTILZ-SMDDNHRTSA-N. The full InChI is InChI=1S/C14H23N/c1-11-6-7-14-13-5-3-2-4-12(13)8-9-15(14)10-11/h11,14H,2-10H2,1H3/t11-,14+/m0/s1.
What are the key properties of (3S,11bR)-3-methyl-2,3,4,6,7,8,9,10,11,11b-decahydro-1H-benzo[a]quinolizine?
(3S,11bR)-3-methyl-2,3,4,6,7,8,9,10,11,11b-decahydro-1H-benzo[a]quinolizine has a molecular weight of 205.34 g/mol, XLogP of 3.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,11bR)-3-methyl-2,3,4,6,7,8,9,10,11,11b-decahydro-1H-benzo[a]quinolizine is sourced from PubChem (CID 7298939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).