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

C15H18N2O — CID 114041955

IUPAC6-methyl-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-trien-9-one
SMILESCc1cccc2c1NC(=O)C1C3CCCC3CN21
InChIInChI=1S/C15H18N2O/c1-9-4-2-7-12-13(9)16-15(18)14-11-6-3-5-10(11)8-17(12)14/h2,4,7,10-11,14H,3,5-6,8H2,1H3,(H,16,18)
InChIKeyPYDUGTNCOPNTLU-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.55
Rot. Bonds

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

6-methyl-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-trien-9-one (PubChem CID 114041955) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 6-methyl-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-trien-9-one.

Molecular Properties

Compound Name6-methyl-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-trien-9-one
PubChem CID114041955
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name6-methyl-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-trien-9-one
SMILESCc1cccc2c1NC(=O)C1C3CCCC3CN21
InChIInChI=1S/C15H18N2O/c1-9-4-2-7-12-13(9)16-15(18)14-11-6-3-5-10(11)8-17(12)14/h2,4,7,10-11,14H,3,5-6,8H2,1H3,(H,16,18)
InChIKeyPYDUGTNCOPNTLU-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 6-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-methylsulfonyl-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2(7),3,5-trien-9-one
CID 102894933
3-methyl-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-trien-9-one
CID 102894958
6-methyl-1,8-diazatricyclo[8.6.0.02,7]hexadeca-2,4,6-trien-9-one
CID 114240010
3-cyclohexyl-7-methyl-1,3-dihydroindol-2-one
CID 82081633
6-(2,3-dimethylphenyl)-4-methyl-4a,7,8,9a-tetrahydropurino[7,8-a]imidazole-1,3-dione
CID 73276828
5-(2-methylphenyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 155579307
4-chloro-8-methyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one
CID 114426902
4-(3-methoxyphenyl)-4,6-diazatricyclo[6.3.0.02,6]undecane-3,5-dione
CID 102894880
1-(2,3-dimethylphenyl)-5-methyl-1,3-diazinane-2,4-dione
CID 79776984
(3S)-3,8-dimethyl-3,4-dihydro-1H-quinoxalin-2-one
CID 131142499
3-chloro-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2(7),3,5-triene
CID 102894992
3-(ethylamino)-8-methyl-3,4-dihydro-1H-quinolin-2-one
CID 14627274

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-trien-9-one?
The IUPAC name of 6-methyl-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-trien-9-one (CID 114041955) is 6-methyl-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-trien-9-one.
What is the SMILES notation for 6-methyl-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-trien-9-one?
The canonical SMILES for 6-methyl-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-trien-9-one is Cc1cccc2c1NC(=O)C1C3CCCC3CN21.
What is the InChIKey of 6-methyl-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-trien-9-one?
The InChIKey is PYDUGTNCOPNTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-9-4-2-7-12-13(9)16-15(18)14-11-6-3-5-10(11)8-17(12)14/h2,4,7,10-11,14H,3,5-6,8H2,1H3,(H,16,18).
What are the key properties of 6-methyl-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-trien-9-one?
6-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 6-methyl-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-trien-9-one is sourced from PubChem (CID 114041955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).