7-methyl-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,10,13,15,17,19,21-undecaene

C22H15N — CID 170258496

IUPAC7-methyl-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,10,13,15,17,19,21-undecaene
SMILESCc1ccc2c(ccc3cc4ccc5ccccc5c4nc32)c1
InChIInChI=1S/C22H15N/c1-14-6-11-20-16(12-14)8-10-18-13-17-9-7-15-4-2-3-5-19(15)21(17)23-22(18)20/h2-13H,1H3
InChIKeyVIUOZHOODMDSQN-UHFFFAOYSA-N
MW293.37 g/mol
LogP6.00
Rot. Bonds

About 7-methyl-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,10,13,15,17,19,21-undecaene

7-methyl-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,10,13,15,17,19,21-undecaene (PubChem CID 170258496) has the molecular formula C22H15N and a molecular weight of 293.37 g/mol. Its IUPAC name is 7-methyl-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,10,13,15,17,19,21-undecaene.

Molecular Properties

Compound Name7-methyl-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,10,13,15,17,19,21-undecaene
PubChem CID170258496
Molecular FormulaC22H15N
Molecular Weight293.37 g/mol
Exact Mass293.12
IUPAC Name7-methyl-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,10,13,15,17,19,21-undecaene
SMILESCc1ccc2c(ccc3cc4ccc5ccccc5c4nc32)c1
InChIInChI=1S/C22H15N/c1-14-6-11-20-16(12-14)8-10-18-13-17-9-7-15-4-2-3-5-19(15)21(17)23-22(18)20/h2-13H,1H3
InChIKeyVIUOZHOODMDSQN-UHFFFAOYSA-N
XLogP6.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.37
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 7-methyl-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,10,13,15,17,19,21-undecaene with MolForge

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Related Compounds

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2,10-dimethylanthracene;formaldehyde
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CID 91503011
2,6-dimethylnaphthalene;2-methylnaphthalene
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butane;2-methylanthracene
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7-methyl-14λ6-thia-13,15-diazahexacyclo[15.8.0.02,11.05,10.012,16.018,23]pentacosa-1(17),2(11),3,5(10),6,8,12,15,18,20,22,24-dodecaene 14,14-dioxide
CID 139448171
5-methylhexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1(18),2(11),3(8),4,6,9,12,14,16,19,21,23,25-tridecaene
CID 11057003
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CID 123193685
2,9-dimethylnaphtho[1,2-b]phenanthrene;3,10-dimethylnaphtho[1,2-b]phenanthrene
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2-methylnaphthalene chloride
CID 21193556

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,10,13,15,17,19,21-undecaene?
The IUPAC name of 7-methyl-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,10,13,15,17,19,21-undecaene (CID 170258496) is 7-methyl-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,10,13,15,17,19,21-undecaene.
What is the SMILES notation for 7-methyl-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,10,13,15,17,19,21-undecaene?
The canonical SMILES for 7-methyl-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,10,13,15,17,19,21-undecaene is Cc1ccc2c(ccc3cc4ccc5ccccc5c4nc32)c1.
What is the InChIKey of 7-methyl-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,10,13,15,17,19,21-undecaene?
The InChIKey is VIUOZHOODMDSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N/c1-14-6-11-20-16(12-14)8-10-18-13-17-9-7-15-4-2-3-5-19(15)21(17)23-22(18)20/h2-13H,1H3.
What are the key properties of 7-methyl-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,10,13,15,17,19,21-undecaene?
7-methyl-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,10,13,15,17,19,21-undecaene has a molecular weight of 293.37 g/mol, XLogP of 6.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,10,13,15,17,19,21-undecaene is sourced from PubChem (CID 170258496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).