10-(hydroxymethylidene)-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-12-ol

C16H10N2O2 — CID 136901458

IUPAC10-(hydroxymethylidene)-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-12-ol
SMILESOC=c1cc(O)c2nccc3c4ccccc4nc1c23
InChIInChI=1S/C16H10N2O2/c19-8-9-7-13(20)16-14-11(5-6-17-16)10-3-1-2-4-12(10)18-15(9)14/h1-8,19-20H
InChIKeyCBJZJJRMWFBWIS-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.66
Rot. Bonds

About 10-(hydroxymethylidene)-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-12-ol

10-(hydroxymethylidene)-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-12-ol (PubChem CID 136901458) has the molecular formula C16H10N2O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 10-(hydroxymethylidene)-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-12-ol.

Molecular Properties

Compound Name10-(hydroxymethylidene)-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-12-ol
PubChem CID136901458
Molecular FormulaC16H10N2O2
Molecular Weight262.27 g/mol
Exact Mass262.07
IUPAC Name10-(hydroxymethylidene)-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-12-ol
SMILESOC=c1cc(O)c2nccc3c4ccccc4nc1c23
InChIInChI=1S/C16H10N2O2/c19-8-9-7-13(20)16-14-11(5-6-17-16)10-3-1-2-4-12(10)18-15(9)14/h1-8,19-20H
InChIKeyCBJZJJRMWFBWIS-UHFFFAOYSA-N
XLogP2.66
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-(hydroxymethylidene)-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-12-ol?
The IUPAC name of 10-(hydroxymethylidene)-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-12-ol (CID 136901458) is 10-(hydroxymethylidene)-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-12-ol.
What is the SMILES notation for 10-(hydroxymethylidene)-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-12-ol?
The canonical SMILES for 10-(hydroxymethylidene)-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-12-ol is OC=c1cc(O)c2nccc3c4ccccc4nc1c23.
What is the InChIKey of 10-(hydroxymethylidene)-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-12-ol?
The InChIKey is CBJZJJRMWFBWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O2/c19-8-9-7-13(20)16-14-11(5-6-17-16)10-3-1-2-4-12(10)18-15(9)14/h1-8,19-20H.
What are the key properties of 10-(hydroxymethylidene)-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-12-ol?
10-(hydroxymethylidene)-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-12-ol has a molecular weight of 262.27 g/mol, XLogP of 2.66, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(hydroxymethylidene)-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-12-ol is sourced from PubChem (CID 136901458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).