8-methylidene-1-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-2,4,6,9,11,13,16,18,20-nonaen-22-one

C22H15NO — CID 10662671

IUPAC8-methylidene-1-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-2,4,6,9,11,13,16,18,20-nonaen-22-one
SMILESC=C1c2ccccc2C2c3ccccc3C(=O)N2c2ccccc21
InChIInChI=1S/C22H15NO/c1-14-15-8-2-3-10-17(15)21-18-11-4-5-12-19(18)22(24)23(21)20-13-7-6-9-16(14)20/h2-13,21H,1H2
InChIKeyWRKIHYHZMFPTQJ-UHFFFAOYSA-N
MW309.37 g/mol
LogP4.81
Rot. Bonds

About 8-methylidene-1-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-2,4,6,9,11,13,16,18,20-nonaen-22-one

8-methylidene-1-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-2,4,6,9,11,13,16,18,20-nonaen-22-one (PubChem CID 10662671) has the molecular formula C22H15NO and a molecular weight of 309.37 g/mol. Its IUPAC name is 8-methylidene-1-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-2,4,6,9,11,13,16,18,20-nonaen-22-one.

Molecular Properties

Compound Name8-methylidene-1-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-2,4,6,9,11,13,16,18,20-nonaen-22-one
PubChem CID10662671
Molecular FormulaC22H15NO
Molecular Weight309.37 g/mol
Exact Mass309.12
IUPAC Name8-methylidene-1-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-2,4,6,9,11,13,16,18,20-nonaen-22-one
SMILESC=C1c2ccccc2C2c3ccccc3C(=O)N2c2ccccc21
InChIInChI=1S/C22H15NO/c1-14-15-8-2-3-10-17(15)21-18-11-4-5-12-19(18)22(24)23(21)20-13-7-6-9-16(14)20/h2-13,21H,1H2
InChIKeyWRKIHYHZMFPTQJ-UHFFFAOYSA-N
XLogP4.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 8-methylidene-1-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-2,4,6,9,11,13,16,18,20-nonaen-22-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-methylidene-1-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-2,4,6,9,11,13,16,18,20-nonaen-22-one?
The IUPAC name of 8-methylidene-1-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-2,4,6,9,11,13,16,18,20-nonaen-22-one (CID 10662671) is 8-methylidene-1-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-2,4,6,9,11,13,16,18,20-nonaen-22-one.
What is the SMILES notation for 8-methylidene-1-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-2,4,6,9,11,13,16,18,20-nonaen-22-one?
The canonical SMILES for 8-methylidene-1-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-2,4,6,9,11,13,16,18,20-nonaen-22-one is C=C1c2ccccc2C2c3ccccc3C(=O)N2c2ccccc21.
What is the InChIKey of 8-methylidene-1-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-2,4,6,9,11,13,16,18,20-nonaen-22-one?
The InChIKey is WRKIHYHZMFPTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NO/c1-14-15-8-2-3-10-17(15)21-18-11-4-5-12-19(18)22(24)23(21)20-13-7-6-9-16(14)20/h2-13,21H,1H2.
What are the key properties of 8-methylidene-1-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-2,4,6,9,11,13,16,18,20-nonaen-22-one?
8-methylidene-1-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-2,4,6,9,11,13,16,18,20-nonaen-22-one has a molecular weight of 309.37 g/mol, XLogP of 4.81, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylidene-1-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-2,4,6,9,11,13,16,18,20-nonaen-22-one is sourced from PubChem (CID 10662671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).