(1R,2R,9S,17R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-15-en-6-one

C15H22N2O — CID 72946609

IUPAC(1R,2R,9S,17R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-15-en-6-one
SMILESO=C1CCC[C@@H]2[C@H]3C=CCN4CCC[C@@H](CN12)[C@H]34
InChIInChI=1S/C15H22N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h3,5,11-13,15H,1-2,4,6-10H2/t11-,12+,13+,15+/m0/s1
InChIKeyRYVZWSLMVNZZSI-KYEXWDHISA-N
MW246.35 g/mol
LogP1.65
Rot. Bonds

About (1R,2R,9S,17R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-15-en-6-one

(1R,2R,9S,17R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-15-en-6-one (PubChem CID 72946609) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (1R,2R,9S,17R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-15-en-6-one.

Molecular Properties

Compound Name(1R,2R,9S,17R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-15-en-6-one
PubChem CID72946609
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(1R,2R,9S,17R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-15-en-6-one
SMILESO=C1CCC[C@@H]2[C@H]3C=CCN4CCC[C@@H](CN12)[C@H]34
InChIInChI=1S/C15H22N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h3,5,11-13,15H,1-2,4,6-10H2/t11-,12+,13+,15+/m0/s1
InChIKeyRYVZWSLMVNZZSI-KYEXWDHISA-N
XLogP1.65
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(-)-Sophocarpine
CID 115269
Lehmannine
CID 3041752
7,13-Diazatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-6-one
CID 618867
Tetrahydrorhombifoline
CID 15511175
(1R,2R,9R,17S)-7,13-Diazatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-6-one
CID 21763818
11-But-3-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 73196906
5,17-Didehydromatridin-15-one
CID 201655
Sophocarpine hydrobromide
CID 3060327
7,11-Dehydromatrin
CID 127039206
(1R,2R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-9(17)-ene-6,14-dione
CID 145970997
(1R,2R,9S,17S)-11-[(1R,2R,9S,14S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-14-yl]-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-10-en-6-one
CID 155544161
Oxolupanine
CID 91748409

Frequently Asked Questions

What is the IUPAC name of (1R,2R,9S,17R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-15-en-6-one?
The IUPAC name of (1R,2R,9S,17R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-15-en-6-one (CID 72946609) is (1R,2R,9S,17R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-15-en-6-one.
What is the SMILES notation for (1R,2R,9S,17R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-15-en-6-one?
The canonical SMILES for (1R,2R,9S,17R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-15-en-6-one is O=C1CCC[C@@H]2[C@H]3C=CCN4CCC[C@@H](CN12)[C@H]34.
What is the InChIKey of (1R,2R,9S,17R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-15-en-6-one?
The InChIKey is RYVZWSLMVNZZSI-KYEXWDHISA-N. The full InChI is InChI=1S/C15H22N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h3,5,11-13,15H,1-2,4,6-10H2/t11-,12+,13+,15+/m0/s1.
What are the key properties of (1R,2R,9S,17R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-15-en-6-one?
(1R,2R,9S,17R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-15-en-6-one has a molecular weight of 246.35 g/mol, XLogP of 1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,9S,17R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-15-en-6-one is sourced from PubChem (CID 72946609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).