10-(dipropylamino)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one

C17H24N2O — CID 11311820

IUPAC10-(dipropylamino)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
SMILESCCCN(CCC)C1Cc2cccc3c2N(C1)C(=O)C3
InChIInChI=1S/C17H24N2O/c1-3-8-18(9-4-2)15-10-13-6-5-7-14-11-16(20)19(12-15)17(13)14/h5-7,15H,3-4,8-12H2,1-2H3
InChIKeyBYLFIXSYAHAHIR-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.62
Rot. Bonds5

About 10-(dipropylamino)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one

10-(dipropylamino)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one (PubChem CID 11311820) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 10-(dipropylamino)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one.

Molecular Properties

Compound Name10-(dipropylamino)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
PubChem CID11311820
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name10-(dipropylamino)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
SMILESCCCN(CCC)C1Cc2cccc3c2N(C1)C(=O)C3
InChIInChI=1S/C17H24N2O/c1-3-8-18(9-4-2)15-10-13-6-5-7-14-11-16(20)19(12-15)17(13)14/h5-7,15H,3-4,8-12H2,1-2H3
InChIKeyBYLFIXSYAHAHIR-UHFFFAOYSA-N
XLogP2.62
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-(dipropylamino)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one?
The IUPAC name of 10-(dipropylamino)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one (CID 11311820) is 10-(dipropylamino)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one.
What is the SMILES notation for 10-(dipropylamino)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one?
The canonical SMILES for 10-(dipropylamino)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one is CCCN(CCC)C1Cc2cccc3c2N(C1)C(=O)C3.
What is the InChIKey of 10-(dipropylamino)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one?
The InChIKey is BYLFIXSYAHAHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-3-8-18(9-4-2)15-10-13-6-5-7-14-11-16(20)19(12-15)17(13)14/h5-7,15H,3-4,8-12H2,1-2H3.
What are the key properties of 10-(dipropylamino)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one?
10-(dipropylamino)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one has a molecular weight of 272.39 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(dipropylamino)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one is sourced from PubChem (CID 11311820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).