(7R)-6,11-diazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),9,12,14-tetraene

C14H16N2 — CID 54508864

IUPAC(7R)-6,11-diazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),9,12,14-tetraene
SMILESc1cc2c3c(c[nH]c3c1)C[C@H]1NCCC1C2
InChIInChI=1S/C14H16N2/c1-2-10-6-9-4-5-15-13(9)7-11-8-16-12(3-1)14(10)11/h1-3,8-9,13,15-16H,4-7H2/t9?,13-/m1/s1
InChIKeyYHRCKHJAKCAMEF-WCRCJTMVSA-N
MW212.30 g/mol
LogP2.24
Rot. Bonds

About (7R)-6,11-diazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),9,12,14-tetraene

(7R)-6,11-diazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),9,12,14-tetraene (PubChem CID 54508864) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is (7R)-6,11-diazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),9,12,14-tetraene.

Molecular Properties

Compound Name(7R)-6,11-diazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),9,12,14-tetraene
PubChem CID54508864
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name(7R)-6,11-diazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),9,12,14-tetraene
SMILESc1cc2c3c(c[nH]c3c1)C[C@H]1NCCC1C2
InChIInChI=1S/C14H16N2/c1-2-10-6-9-4-5-15-13(9)7-11-8-16-12(3-1)14(10)11/h1-3,8-9,13,15-16H,4-7H2/t9?,13-/m1/s1
InChIKeyYHRCKHJAKCAMEF-WCRCJTMVSA-N
XLogP2.24
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze (7R)-6,11-diazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),9,12,14-tetraene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (7R)-6,11-diazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),9,12,14-tetraene?
The IUPAC name of (7R)-6,11-diazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),9,12,14-tetraene (CID 54508864) is (7R)-6,11-diazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),9,12,14-tetraene.
What is the SMILES notation for (7R)-6,11-diazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),9,12,14-tetraene?
The canonical SMILES for (7R)-6,11-diazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),9,12,14-tetraene is c1cc2c3c(c[nH]c3c1)C[C@H]1NCCC1C2.
What is the InChIKey of (7R)-6,11-diazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),9,12,14-tetraene?
The InChIKey is YHRCKHJAKCAMEF-WCRCJTMVSA-N. The full InChI is InChI=1S/C14H16N2/c1-2-10-6-9-4-5-15-13(9)7-11-8-16-12(3-1)14(10)11/h1-3,8-9,13,15-16H,4-7H2/t9?,13-/m1/s1.
What are the key properties of (7R)-6,11-diazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),9,12,14-tetraene?
(7R)-6,11-diazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),9,12,14-tetraene has a molecular weight of 212.30 g/mol, XLogP of 2.24, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-6,11-diazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),9,12,14-tetraene is sourced from PubChem (CID 54508864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).