11-methyl-2,17-diazatetracyclo[7.7.1.02,7.013,17]heptadec-13-en-3-one

C16H24N2O — CID 162907535

IUPAC11-methyl-2,17-diazatetracyclo[7.7.1.02,7.013,17]heptadec-13-en-3-one
SMILESCC1CC2=CCCC3N4C(=O)CCCC4CC(C1)N23
InChIInChI=1S/C16H24N2O/c1-11-8-12-4-2-6-15-17(12)14(9-11)10-13-5-3-7-16(19)18(13)15/h4,11,13-15H,2-3,5-10H2,1H3
InChIKeyZDFSDFBEUFWCSH-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.88
Rot. Bonds

About 11-methyl-2,17-diazatetracyclo[7.7.1.02,7.013,17]heptadec-13-en-3-one

11-methyl-2,17-diazatetracyclo[7.7.1.02,7.013,17]heptadec-13-en-3-one (PubChem CID 162907535) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 11-methyl-2,17-diazatetracyclo[7.7.1.02,7.013,17]heptadec-13-en-3-one.

Molecular Properties

Compound Name11-methyl-2,17-diazatetracyclo[7.7.1.02,7.013,17]heptadec-13-en-3-one
PubChem CID162907535
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name11-methyl-2,17-diazatetracyclo[7.7.1.02,7.013,17]heptadec-13-en-3-one
SMILESCC1CC2=CCCC3N4C(=O)CCCC4CC(C1)N23
InChIInChI=1S/C16H24N2O/c1-11-8-12-4-2-6-15-17(12)14(9-11)10-13-5-3-7-16(19)18(13)15/h4,11,13-15H,2-3,5-10H2,1H3
InChIKeyZDFSDFBEUFWCSH-UHFFFAOYSA-N
XLogP2.88
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 24882128
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Frequently Asked Questions

What is the IUPAC name of 11-methyl-2,17-diazatetracyclo[7.7.1.02,7.013,17]heptadec-13-en-3-one?
The IUPAC name of 11-methyl-2,17-diazatetracyclo[7.7.1.02,7.013,17]heptadec-13-en-3-one (CID 162907535) is 11-methyl-2,17-diazatetracyclo[7.7.1.02,7.013,17]heptadec-13-en-3-one.
What is the SMILES notation for 11-methyl-2,17-diazatetracyclo[7.7.1.02,7.013,17]heptadec-13-en-3-one?
The canonical SMILES for 11-methyl-2,17-diazatetracyclo[7.7.1.02,7.013,17]heptadec-13-en-3-one is CC1CC2=CCCC3N4C(=O)CCCC4CC(C1)N23.
What is the InChIKey of 11-methyl-2,17-diazatetracyclo[7.7.1.02,7.013,17]heptadec-13-en-3-one?
The InChIKey is ZDFSDFBEUFWCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11-8-12-4-2-6-15-17(12)14(9-11)10-13-5-3-7-16(19)18(13)15/h4,11,13-15H,2-3,5-10H2,1H3.
What are the key properties of 11-methyl-2,17-diazatetracyclo[7.7.1.02,7.013,17]heptadec-13-en-3-one?
11-methyl-2,17-diazatetracyclo[7.7.1.02,7.013,17]heptadec-13-en-3-one has a molecular weight of 260.38 g/mol, XLogP of 2.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-2,17-diazatetracyclo[7.7.1.02,7.013,17]heptadec-13-en-3-one is sourced from PubChem (CID 162907535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).