4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),10,11-pentaene

C10H8N2O — CID 167062199

IUPAC4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),10,11-pentaene
SMILESC1=CN2CCOc3cccc(c32)N=1
InChIInChI=1S/C10H8N2O/c1-2-8-10-9(3-1)13-7-6-12(10)5-4-11-8/h1-3,5H,6-7H2
InChIKeyYCODXRJZDDCPDH-UHFFFAOYSA-N
MW172.19 g/mol
LogP1.71
Rot. Bonds

About 4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),10,11-pentaene

4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),10,11-pentaene (PubChem CID 167062199) has the molecular formula C10H8N2O and a molecular weight of 172.19 g/mol. Its IUPAC name is 4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),10,11-pentaene.

Molecular Properties

Compound Name4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),10,11-pentaene
PubChem CID167062199
Molecular FormulaC10H8N2O
Molecular Weight172.19 g/mol
Exact Mass172.06
IUPAC Name4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),10,11-pentaene
SMILESC1=CN2CCOc3cccc(c32)N=1
InChIInChI=1S/C10H8N2O/c1-2-8-10-9(3-1)13-7-6-12(10)5-4-11-8/h1-3,5H,6-7H2
InChIKeyYCODXRJZDDCPDH-UHFFFAOYSA-N
XLogP1.71
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene
CID 90808106
5-bromo-4-methyl-2,3-dihydro-1,4-benzoxazine
CID 83823671
11,14,30,33-tetraoxa-2,4,21,23-tetrazapentacyclo[32.4.0.05,10.015,20.024,29]octatriaconta-1(38),2,3,5,7,9,15,17,19,21,22,24,26,28,34,36-hexadecaene
CID 129147747
4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-amine
CID 82372259
5-iodo-3,4-dihydro-2H-1,5-benzoxazepine
CID 145151129
4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxamide
CID 70037782
4,5-ditert-butyl-2,3-dihydro-1,4-benzoxazine
CID 59483844
methyl 4-methyl-2,3-dihydro-1,4-benzoxazine-5-carboxylate
CID 14373655
2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaene
CID 3486729
9-oxa-1-azatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene
CID 117275612
17,23-dimethyl-4,11,20,28-tetraoxa-1,14,17,23-tetrazatricyclo[12.11.5.05,10]triaconta-5,7,9-triene
CID 174302354
4-propyl-2,3-dihydro-1,4-benzoxazin-5-amine
CID 82345521

Frequently Asked Questions

What is the IUPAC name of 4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),10,11-pentaene?
The IUPAC name of 4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),10,11-pentaene (CID 167062199) is 4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),10,11-pentaene.
What is the SMILES notation for 4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),10,11-pentaene?
The canonical SMILES for 4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),10,11-pentaene is C1=CN2CCOc3cccc(c32)N=1.
What is the InChIKey of 4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),10,11-pentaene?
The InChIKey is YCODXRJZDDCPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O/c1-2-8-10-9(3-1)13-7-6-12(10)5-4-11-8/h1-3,5H,6-7H2.
What are the key properties of 4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),10,11-pentaene?
4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),10,11-pentaene has a molecular weight of 172.19 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),10,11-pentaene is sourced from PubChem (CID 167062199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).