9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaen-20-one

C19H10N2O — CID 134163455

IUPAC9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaen-20-one
SMILESO=C1C=CC=c2ncc3ccc4c(c3c21)=c1ccccc1=N4
InChIInChI=1S/C19H10N2O/c22-16-7-3-6-14-19(16)17-11(10-20-14)8-9-15-18(17)12-4-1-2-5-13(12)21-15/h1-10H
InChIKeyYCTXPHAQNRFZHQ-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.32
Rot. Bonds

About 9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaen-20-one

9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaen-20-one (PubChem CID 134163455) has the molecular formula C19H10N2O and a molecular weight of 282.30 g/mol. Its IUPAC name is 9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaen-20-one.

Molecular Properties

Compound Name9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaen-20-one
PubChem CID134163455
Molecular FormulaC19H10N2O
Molecular Weight282.30 g/mol
Exact Mass282.08
IUPAC Name9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaen-20-one
SMILESO=C1C=CC=c2ncc3ccc4c(c3c21)=c1ccccc1=N4
InChIInChI=1S/C19H10N2O/c22-16-7-3-6-14-19(16)17-11(10-20-14)8-9-15-18(17)12-4-1-2-5-13(12)21-15/h1-10H
InChIKeyYCTXPHAQNRFZHQ-UHFFFAOYSA-N
XLogP2.32
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaen-20-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaen-20-one?
The IUPAC name of 9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaen-20-one (CID 134163455) is 9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaen-20-one.
What is the SMILES notation for 9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaen-20-one?
The canonical SMILES for 9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaen-20-one is O=C1C=CC=c2ncc3ccc4c(c3c21)=c1ccccc1=N4.
What is the InChIKey of 9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaen-20-one?
The InChIKey is YCTXPHAQNRFZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10N2O/c22-16-7-3-6-14-19(16)17-11(10-20-14)8-9-15-18(17)12-4-1-2-5-13(12)21-15/h1-10H.
What are the key properties of 9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaen-20-one?
9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaen-20-one has a molecular weight of 282.30 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaen-20-one is sourced from PubChem (CID 134163455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).