14-oxa-10-azatetracyclo[7.5.1.02,7.012,15]pentadeca-1(15),2,4,6,8-pentaene

C13H11NO — CID 59962431

IUPAC14-oxa-10-azatetracyclo[7.5.1.02,7.012,15]pentadeca-1(15),2,4,6,8-pentaene
SMILESc1ccc2c3c4c(cc2c1)NCC4CO3
InChIInChI=1S/C13H11NO/c1-2-4-10-8(3-1)5-11-12-9(6-14-11)7-15-13(10)12/h1-5,9,14H,6-7H2
InChIKeyYGWOYKHHGNWVBC-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.74
Rot. Bonds

About 14-oxa-10-azatetracyclo[7.5.1.02,7.012,15]pentadeca-1(15),2,4,6,8-pentaene

14-oxa-10-azatetracyclo[7.5.1.02,7.012,15]pentadeca-1(15),2,4,6,8-pentaene (PubChem CID 59962431) has the molecular formula C13H11NO and a molecular weight of 197.24 g/mol. Its IUPAC name is 14-oxa-10-azatetracyclo[7.5.1.02,7.012,15]pentadeca-1(15),2,4,6,8-pentaene.

Molecular Properties

Compound Name14-oxa-10-azatetracyclo[7.5.1.02,7.012,15]pentadeca-1(15),2,4,6,8-pentaene
PubChem CID59962431
Molecular FormulaC13H11NO
Molecular Weight197.24 g/mol
Exact Mass197.08
IUPAC Name14-oxa-10-azatetracyclo[7.5.1.02,7.012,15]pentadeca-1(15),2,4,6,8-pentaene
SMILESc1ccc2c3c4c(cc2c1)NCC4CO3
InChIInChI=1S/C13H11NO/c1-2-4-10-8(3-1)5-11-12-9(6-14-11)7-15-13(10)12/h1-5,9,14H,6-7H2
InChIKeyYGWOYKHHGNWVBC-UHFFFAOYSA-N
XLogP2.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 14-oxa-10-azatetracyclo[7.5.1.02,7.012,15]pentadeca-1(15),2,4,6,8-pentaene?
The IUPAC name of 14-oxa-10-azatetracyclo[7.5.1.02,7.012,15]pentadeca-1(15),2,4,6,8-pentaene (CID 59962431) is 14-oxa-10-azatetracyclo[7.5.1.02,7.012,15]pentadeca-1(15),2,4,6,8-pentaene.
What is the SMILES notation for 14-oxa-10-azatetracyclo[7.5.1.02,7.012,15]pentadeca-1(15),2,4,6,8-pentaene?
The canonical SMILES for 14-oxa-10-azatetracyclo[7.5.1.02,7.012,15]pentadeca-1(15),2,4,6,8-pentaene is c1ccc2c3c4c(cc2c1)NCC4CO3.
What is the InChIKey of 14-oxa-10-azatetracyclo[7.5.1.02,7.012,15]pentadeca-1(15),2,4,6,8-pentaene?
The InChIKey is YGWOYKHHGNWVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO/c1-2-4-10-8(3-1)5-11-12-9(6-14-11)7-15-13(10)12/h1-5,9,14H,6-7H2.
What are the key properties of 14-oxa-10-azatetracyclo[7.5.1.02,7.012,15]pentadeca-1(15),2,4,6,8-pentaene?
14-oxa-10-azatetracyclo[7.5.1.02,7.012,15]pentadeca-1(15),2,4,6,8-pentaene has a molecular weight of 197.24 g/mol, XLogP of 2.74, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-oxa-10-azatetracyclo[7.5.1.02,7.012,15]pentadeca-1(15),2,4,6,8-pentaene is sourced from PubChem (CID 59962431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).