(1R,9R,17S)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4-dien-6-one

C15H20N2O — CID 6551054

IUPAC(1R,9R,17S)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4-dien-6-one
SMILESO=c1cccc2n1C[C@H]1CCCN3CCC[C@@H]2[C@H]13
InChIInChI=1S/C15H20N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h1,6-7,11-12,15H,2-5,8-10H2/t11-,12+,15+/m1/s1
InChIKeyMMCQRJPAMIHLQX-XUJVJEKNSA-N
MW244.34 g/mol
LogP1.82
Rot. Bonds

About (1R,9R,17S)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4-dien-6-one

(1R,9R,17S)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4-dien-6-one (PubChem CID 6551054) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is (1R,9R,17S)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4-dien-6-one.

Molecular Properties

Compound Name(1R,9R,17S)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4-dien-6-one
PubChem CID6551054
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name(1R,9R,17S)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4-dien-6-one
SMILESO=c1cccc2n1C[C@H]1CCCN3CCC[C@@H]2[C@H]13
InChIInChI=1S/C15H20N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h1,6-7,11-12,15H,2-5,8-10H2/t11-,12+,15+/m1/s1
InChIKeyMMCQRJPAMIHLQX-XUJVJEKNSA-N
XLogP1.82
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,9R,17S)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4-dien-6-one?
The IUPAC name of (1R,9R,17S)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4-dien-6-one (CID 6551054) is (1R,9R,17S)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4-dien-6-one.
What is the SMILES notation for (1R,9R,17S)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4-dien-6-one?
The canonical SMILES for (1R,9R,17S)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4-dien-6-one is O=c1cccc2n1C[C@H]1CCCN3CCC[C@@H]2[C@H]13.
What is the InChIKey of (1R,9R,17S)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4-dien-6-one?
The InChIKey is MMCQRJPAMIHLQX-XUJVJEKNSA-N. The full InChI is InChI=1S/C15H20N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h1,6-7,11-12,15H,2-5,8-10H2/t11-,12+,15+/m1/s1.
What are the key properties of (1R,9R,17S)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4-dien-6-one?
(1R,9R,17S)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4-dien-6-one has a molecular weight of 244.34 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9R,17S)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4-dien-6-one is sourced from PubChem (CID 6551054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).