12,16,17,18-tetrahydroyohimban

C19H16N2 — CID 162843775

IUPAC12,16,17,18-tetrahydroyohimban
SMILESC1=C2C=C3C4=Nc5ccccc5C4=CCN3C=C2CCC1
InChIInChI=1S/C19H16N2/c1-2-6-14-12-21-10-9-16-15-7-3-4-8-17(15)20-19(16)18(21)11-13(14)5-1/h3-5,7-9,11-12H,1-2,6,10H2
InChIKeyQGSZPWIANAPIKL-UHFFFAOYSA-N
MW272.35 g/mol
LogP4.36
Rot. Bonds

About 12,16,17,18-tetrahydroyohimban

12,16,17,18-tetrahydroyohimban (PubChem CID 162843775) has the molecular formula C19H16N2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 12,16,17,18-tetrahydroyohimban.

Molecular Properties

Compound Name12,16,17,18-tetrahydroyohimban
PubChem CID162843775
Molecular FormulaC19H16N2
Molecular Weight272.35 g/mol
Exact Mass272.13
IUPAC Name12,16,17,18-tetrahydroyohimban
SMILESC1=C2C=C3C4=Nc5ccccc5C4=CCN3C=C2CCC1
InChIInChI=1S/C19H16N2/c1-2-6-14-12-21-10-9-16-15-7-3-4-8-17(15)20-19(16)18(21)11-13(14)5-1/h3-5,7-9,11-12H,1-2,6,10H2
InChIKeyQGSZPWIANAPIKL-UHFFFAOYSA-N
XLogP4.36
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 12,16,17,18-tetrahydroyohimban?
The IUPAC name of 12,16,17,18-tetrahydroyohimban (CID 162843775) is 12,16,17,18-tetrahydroyohimban.
What is the SMILES notation for 12,16,17,18-tetrahydroyohimban?
The canonical SMILES for 12,16,17,18-tetrahydroyohimban is C1=C2C=C3C4=Nc5ccccc5C4=CCN3C=C2CCC1.
What is the InChIKey of 12,16,17,18-tetrahydroyohimban?
The InChIKey is QGSZPWIANAPIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2/c1-2-6-14-12-21-10-9-16-15-7-3-4-8-17(15)20-19(16)18(21)11-13(14)5-1/h3-5,7-9,11-12H,1-2,6,10H2.
What are the key properties of 12,16,17,18-tetrahydroyohimban?
12,16,17,18-tetrahydroyohimban has a molecular weight of 272.35 g/mol, XLogP of 4.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12,16,17,18-tetrahydroyohimban is sourced from PubChem (CID 162843775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).