11-azatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaen-12-one

C17H15NO — CID 3800854

IUPAC11-azatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaen-12-one
SMILESO=C1c2ccccc2C2c3ccccc3CCCN12
InChIInChI=1S/C17H15NO/c19-17-15-10-4-3-9-14(15)16-13-8-2-1-6-12(13)7-5-11-18(16)17/h1-4,6,8-10,16H,5,7,11H2
InChIKeyRTCQRFWJWZWMDJ-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.18
Rot. Bonds

About 11-azatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaen-12-one

11-azatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaen-12-one (PubChem CID 3800854) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is 11-azatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaen-12-one.

Molecular Properties

Compound Name11-azatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaen-12-one
PubChem CID3800854
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name11-azatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaen-12-one
SMILESO=C1c2ccccc2C2c3ccccc3CCCN12
InChIInChI=1S/C17H15NO/c19-17-15-10-4-3-9-14(15)16-13-8-2-1-6-12(13)7-5-11-18(16)17/h1-4,6,8-10,16H,5,7,11H2
InChIKeyRTCQRFWJWZWMDJ-UHFFFAOYSA-N
XLogP3.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 11-azatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaen-12-one?
The IUPAC name of 11-azatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaen-12-one (CID 3800854) is 11-azatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaen-12-one.
What is the SMILES notation for 11-azatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaen-12-one?
The canonical SMILES for 11-azatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaen-12-one is O=C1c2ccccc2C2c3ccccc3CCCN12.
What is the InChIKey of 11-azatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaen-12-one?
The InChIKey is RTCQRFWJWZWMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c19-17-15-10-4-3-9-14(15)16-13-8-2-1-6-12(13)7-5-11-18(16)17/h1-4,6,8-10,16H,5,7,11H2.
What are the key properties of 11-azatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaen-12-one?
11-azatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaen-12-one has a molecular weight of 249.31 g/mol, XLogP of 3.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-azatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaen-12-one is sourced from PubChem (CID 3800854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).