2-(2-chlorophenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one

C20H27ClN2O — CID 1234723

IUPAC2-(2-chlorophenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
SMILESCCCC12CN3CC(CCC)(CN(C1)C3c1ccccc1Cl)C2=O
InChIInChI=1S/C20H27ClN2O/c1-3-9-19-11-22-13-20(10-4-2,18(19)24)14-23(12-19)17(22)15-7-5-6-8-16(15)21/h5-8,17H,3-4,9-14H2,1-2H3
InChIKeyDICBLSUPHGIOHD-UHFFFAOYSA-N
MW346.90 g/mol
LogP4.13
Rot. Bonds5

About 2-(2-chlorophenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one

2-(2-chlorophenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one (PubChem CID 1234723) has the molecular formula C20H27ClN2O and a molecular weight of 346.90 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
PubChem CID1234723
Molecular FormulaC20H27ClN2O
Molecular Weight346.90 g/mol
Exact Mass346.18
IUPAC Name2-(2-chlorophenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
SMILESCCCC12CN3CC(CCC)(CN(C1)C3c1ccccc1Cl)C2=O
InChIInChI=1S/C20H27ClN2O/c1-3-9-19-11-22-13-20(10-4-2,18(19)24)14-23(12-19)17(22)15-7-5-6-8-16(15)21/h5-8,17H,3-4,9-14H2,1-2H3
InChIKeyDICBLSUPHGIOHD-UHFFFAOYSA-N
XLogP4.13
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.90
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The IUPAC name of 2-(2-chlorophenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one (CID 1234723) is 2-(2-chlorophenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.
What is the SMILES notation for 2-(2-chlorophenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The canonical SMILES for 2-(2-chlorophenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one is CCCC12CN3CC(CCC)(CN(C1)C3c1ccccc1Cl)C2=O.
What is the InChIKey of 2-(2-chlorophenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The InChIKey is DICBLSUPHGIOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O/c1-3-9-19-11-22-13-20(10-4-2,18(19)24)14-23(12-19)17(22)15-7-5-6-8-16(15)21/h5-8,17H,3-4,9-14H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
2-(2-chlorophenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one has a molecular weight of 346.90 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one is sourced from PubChem (CID 1234723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).