1-(2-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaen-2-yl)ethanone

C23H17NO — CID 155935107

IUPAC1-(2-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaen-2-yl)ethanone
SMILESCC(=O)N1c2cc3ccccc3cc2Cc2cc3ccccc3cc21
InChIInChI=1S/C23H17NO/c1-15(25)24-22-13-18-8-4-2-6-16(18)10-20(22)12-21-11-17-7-3-5-9-19(17)14-23(21)24/h2-11,13-14H,12H2,1H3
InChIKeyFYKQRFOZRJGSCX-UHFFFAOYSA-N
MW323.40 g/mol
LogP5.58
Rot. Bonds

About 1-(2-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaen-2-yl)ethanone

1-(2-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaen-2-yl)ethanone (PubChem CID 155935107) has the molecular formula C23H17NO and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-(2-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaen-2-yl)ethanone.

Molecular Properties

Compound Name1-(2-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaen-2-yl)ethanone
PubChem CID155935107
Molecular FormulaC23H17NO
Molecular Weight323.40 g/mol
Exact Mass323.13
IUPAC Name1-(2-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaen-2-yl)ethanone
SMILESCC(=O)N1c2cc3ccccc3cc2Cc2cc3ccccc3cc21
InChIInChI=1S/C23H17NO/c1-15(25)24-22-13-18-8-4-2-6-16(18)10-20(22)12-21-11-17-7-3-5-9-19(17)14-23(21)24/h2-11,13-14H,12H2,1H3
InChIKeyFYKQRFOZRJGSCX-UHFFFAOYSA-N
XLogP5.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.40
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaen-2-yl)ethanone with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(2-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaen-2-yl)ethanone?
The IUPAC name of 1-(2-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaen-2-yl)ethanone (CID 155935107) is 1-(2-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaen-2-yl)ethanone.
What is the SMILES notation for 1-(2-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaen-2-yl)ethanone?
The canonical SMILES for 1-(2-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaen-2-yl)ethanone is CC(=O)N1c2cc3ccccc3cc2Cc2cc3ccccc3cc21.
What is the InChIKey of 1-(2-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaen-2-yl)ethanone?
The InChIKey is FYKQRFOZRJGSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO/c1-15(25)24-22-13-18-8-4-2-6-16(18)10-20(22)12-21-11-17-7-3-5-9-19(17)14-23(21)24/h2-11,13-14H,12H2,1H3.
What are the key properties of 1-(2-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaen-2-yl)ethanone?
1-(2-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaen-2-yl)ethanone has a molecular weight of 323.40 g/mol, XLogP of 5.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaen-2-yl)ethanone is sourced from PubChem (CID 155935107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).