(10S,14S)-12-methyl-1,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8-trien-15-one

C15H18N2O — CID 68523887

IUPAC(10S,14S)-12-methyl-1,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8-trien-15-one
SMILESCN1C[C@@H]2c3cccc4c3N(CCC4)C(=O)[C@@H]2C1
InChIInChI=1S/C15H18N2O/c1-16-8-12-11-6-2-4-10-5-3-7-17(14(10)11)15(18)13(12)9-16/h2,4,6,12-13H,3,5,7-9H2,1H3/t12-,13-/m1/s1
InChIKeyOJUVWKQNXPABQJ-CHWSQXEVSA-N
MW242.32 g/mol
LogP1.62
Rot. Bonds

About (10S,14S)-12-methyl-1,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8-trien-15-one

(10S,14S)-12-methyl-1,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8-trien-15-one (PubChem CID 68523887) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is (10S,14S)-12-methyl-1,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8-trien-15-one.

Molecular Properties

Compound Name(10S,14S)-12-methyl-1,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8-trien-15-one
PubChem CID68523887
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name(10S,14S)-12-methyl-1,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8-trien-15-one
SMILESCN1C[C@@H]2c3cccc4c3N(CCC4)C(=O)[C@@H]2C1
InChIInChI=1S/C15H18N2O/c1-16-8-12-11-6-2-4-10-5-3-7-17(14(10)11)15(18)13(12)9-16/h2,4,6,12-13H,3,5,7-9H2,1H3/t12-,13-/m1/s1
InChIKeyOJUVWKQNXPABQJ-CHWSQXEVSA-N
XLogP1.62
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (10S,14S)-12-methyl-1,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8-trien-15-one?
The IUPAC name of (10S,14S)-12-methyl-1,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8-trien-15-one (CID 68523887) is (10S,14S)-12-methyl-1,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8-trien-15-one.
What is the SMILES notation for (10S,14S)-12-methyl-1,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8-trien-15-one?
The canonical SMILES for (10S,14S)-12-methyl-1,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8-trien-15-one is CN1C[C@@H]2c3cccc4c3N(CCC4)C(=O)[C@@H]2C1.
What is the InChIKey of (10S,14S)-12-methyl-1,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8-trien-15-one?
The InChIKey is OJUVWKQNXPABQJ-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H18N2O/c1-16-8-12-11-6-2-4-10-5-3-7-17(14(10)11)15(18)13(12)9-16/h2,4,6,12-13H,3,5,7-9H2,1H3/t12-,13-/m1/s1.
What are the key properties of (10S,14S)-12-methyl-1,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8-trien-15-one?
(10S,14S)-12-methyl-1,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8-trien-15-one has a molecular weight of 242.32 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10S,14S)-12-methyl-1,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8-trien-15-one is sourced from PubChem (CID 68523887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).