(6R,6aR,11bR)-6-methyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c][1,5]naphthyridine

C16H16N2 — CID 46217840

IUPAC(6R,6aR,11bR)-6-methyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c][1,5]naphthyridine
SMILESC[C@H]1Nc2cccnc2[C@H]2c3ccccc3C[C@H]21
InChIInChI=1S/C16H16N2/c1-10-13-9-11-5-2-3-6-12(11)15(13)16-14(18-10)7-4-8-17-16/h2-8,10,13,15,18H,9H2,1H3/t10-,13+,15+/m1/s1
InChIKeyHCEYKVUOGKQEMT-DGFSRKRXSA-N
MW236.32 g/mol
LogP3.20
Rot. Bonds

About (6R,6aR,11bR)-6-methyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c][1,5]naphthyridine

(6R,6aR,11bR)-6-methyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c][1,5]naphthyridine (PubChem CID 46217840) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is (6R,6aR,11bR)-6-methyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c][1,5]naphthyridine.

Molecular Properties

Compound Name(6R,6aR,11bR)-6-methyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c][1,5]naphthyridine
PubChem CID46217840
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name(6R,6aR,11bR)-6-methyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c][1,5]naphthyridine
SMILESC[C@H]1Nc2cccnc2[C@H]2c3ccccc3C[C@H]21
InChIInChI=1S/C16H16N2/c1-10-13-9-11-5-2-3-6-12(11)15(13)16-14(18-10)7-4-8-17-16/h2-8,10,13,15,18H,9H2,1H3/t10-,13+,15+/m1/s1
InChIKeyHCEYKVUOGKQEMT-DGFSRKRXSA-N
XLogP3.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6R,6aR,11bR)-6-methyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c][1,5]naphthyridine?
The IUPAC name of (6R,6aR,11bR)-6-methyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c][1,5]naphthyridine (CID 46217840) is (6R,6aR,11bR)-6-methyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c][1,5]naphthyridine.
What is the SMILES notation for (6R,6aR,11bR)-6-methyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c][1,5]naphthyridine?
The canonical SMILES for (6R,6aR,11bR)-6-methyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c][1,5]naphthyridine is C[C@H]1Nc2cccnc2[C@H]2c3ccccc3C[C@H]21.
What is the InChIKey of (6R,6aR,11bR)-6-methyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c][1,5]naphthyridine?
The InChIKey is HCEYKVUOGKQEMT-DGFSRKRXSA-N. The full InChI is InChI=1S/C16H16N2/c1-10-13-9-11-5-2-3-6-12(11)15(13)16-14(18-10)7-4-8-17-16/h2-8,10,13,15,18H,9H2,1H3/t10-,13+,15+/m1/s1.
What are the key properties of (6R,6aR,11bR)-6-methyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c][1,5]naphthyridine?
(6R,6aR,11bR)-6-methyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c][1,5]naphthyridine has a molecular weight of 236.32 g/mol, XLogP of 3.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,6aR,11bR)-6-methyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c][1,5]naphthyridine is sourced from PubChem (CID 46217840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).