7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-en-6-one

C15H22N2O — CID 520559

IUPAC7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-en-6-one
SMILESO=C1CCC=C2C3CC(CN12)C1CCCCN1C3
InChIInChI=1S/C15H22N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h5,11-13H,1-4,6-10H2
InChIKeyGSQQGCZVTAUICD-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.00
Rot. Bonds

About 7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-en-6-one

7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-en-6-one (PubChem CID 520559) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-en-6-one.

Molecular Properties

Compound Name7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-en-6-one
PubChem CID520559
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-en-6-one
SMILESO=C1CCC=C2C3CC(CN12)C1CCCCN1C3
InChIInChI=1S/C15H22N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h5,11-13H,1-4,6-10H2
InChIKeyGSQQGCZVTAUICD-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Anagyrine
CID 5351589
(10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one
CID 10246
Npc135639
CID 442938
Lehmannine
CID 3041752
(-)-Thermopsine
CID 638234
(-)-Sophoramine
CID 169014
(+)-Thermopsine
CID 682648
Thermopsine
CID 92768
Neosophoramine
CID 618327
(1S,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one
CID 171283
11,12-Dehydrosparteine isomer
CID 13994061
Monolupin
CID 71056954

Frequently Asked Questions

What is the IUPAC name of 7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-en-6-one?
The IUPAC name of 7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-en-6-one (CID 520559) is 7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-en-6-one.
What is the SMILES notation for 7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-en-6-one?
The canonical SMILES for 7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-en-6-one is O=C1CCC=C2C3CC(CN12)C1CCCCN1C3.
What is the InChIKey of 7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-en-6-one?
The InChIKey is GSQQGCZVTAUICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h5,11-13H,1-4,6-10H2.
What are the key properties of 7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-en-6-one?
7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-en-6-one has a molecular weight of 246.35 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-en-6-one is sourced from PubChem (CID 520559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).