3-methyl-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-trien-9-one

C15H18N2O — CID 102894958

IUPAC3-methyl-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-trien-9-one
SMILESCc1cccc2c1N1CC3CCCC3C1C(=O)N2
InChIInChI=1S/C15H18N2O/c1-9-4-2-7-12-13(9)17-8-10-5-3-6-11(10)14(17)15(18)16-12/h2,4,7,10-11,14H,3,5-6,8H2,1H3,(H,16,18)
InChIKeySEYQBHFFFGJICQ-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.55
Rot. Bonds

About 3-methyl-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-trien-9-one

3-methyl-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-trien-9-one (PubChem CID 102894958) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-methyl-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-trien-9-one.

Molecular Properties

Compound Name3-methyl-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-trien-9-one
PubChem CID102894958
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name3-methyl-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-trien-9-one
SMILESCc1cccc2c1N1CC3CCCC3C1C(=O)N2
InChIInChI=1S/C15H18N2O/c1-9-4-2-7-12-13(9)17-8-10-5-3-6-11(10)14(17)15(18)16-12/h2,4,7,10-11,14H,3,5-6,8H2,1H3,(H,16,18)
InChIKeySEYQBHFFFGJICQ-UHFFFAOYSA-N
XLogP2.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-trien-9-one with MolForge

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Related Compounds

6-methyl-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-trien-9-one
CID 114041955
4-fluoro-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2(7),3,5-trien-9-one
CID 102894941
6-methylsulfonyl-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2(7),3,5-trien-9-one
CID 102894933
4-cyclopropyl-5-methyl-1,3-dihydroquinoxalin-2-one
CID 115554224
5-cyclopropyl-6-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 115554226
10-methyl-2,4,4a,6-tetrahydro-1H-[1,4]thiazino[4,3-a]quinoxalin-5-one
CID 82909395
3-(aminomethyl)-4,5-dimethyl-1,3-dihydroquinoxalin-2-one
CID 84620565
3-chloro-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2(7),3,5-triene
CID 102894992
5-methyl-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
CID 115097275
4-tert-butyl-5-methyl-1,3-dihydroquinoxalin-2-one
CID 115554274
1-methyl-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione;propane
CID 143528648
4-acetyl-3-cyclohexyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 163292969

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-trien-9-one?
The IUPAC name of 3-methyl-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-trien-9-one (CID 102894958) is 3-methyl-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-trien-9-one.
What is the SMILES notation for 3-methyl-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-trien-9-one?
The canonical SMILES for 3-methyl-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-trien-9-one is Cc1cccc2c1N1CC3CCCC3C1C(=O)N2.
What is the InChIKey of 3-methyl-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-trien-9-one?
The InChIKey is SEYQBHFFFGJICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-9-4-2-7-12-13(9)17-8-10-5-3-6-11(10)14(17)15(18)16-12/h2,4,7,10-11,14H,3,5-6,8H2,1H3,(H,16,18).
What are the key properties of 3-methyl-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-trien-9-one?
3-methyl-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-trien-9-one has a molecular weight of 242.32 g/mol, XLogP of 2.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-trien-9-one is sourced from PubChem (CID 102894958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).