2-(cyclopropanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one

C17H28N2O2 — CID 156611655

IUPAC2-(cyclopropanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
SMILESCN1CCCCCCN(C(=O)C2CC2)C2CCCC2C1=O
InChIInChI=1S/C17H28N2O2/c1-18-11-4-2-3-5-12-19(16(20)13-9-10-13)15-8-6-7-14(15)17(18)21/h13-15H,2-12H2,1H3
InChIKeyBFJFYERWTFNOQR-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.43
Rot. Bonds1

About 2-(cyclopropanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one

2-(cyclopropanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one (PubChem CID 156611655) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-(cyclopropanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one.

Molecular Properties

Compound Name2-(cyclopropanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
PubChem CID156611655
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-(cyclopropanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
SMILESCN1CCCCCCN(C(=O)C2CC2)C2CCCC2C1=O
InChIInChI=1S/C17H28N2O2/c1-18-11-4-2-3-5-12-19(16(20)13-9-10-13)15-8-6-7-14(15)17(18)21/h13-15H,2-12H2,1H3
InChIKeyBFJFYERWTFNOQR-UHFFFAOYSA-N
XLogP2.43
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(cyclopropanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The IUPAC name of 2-(cyclopropanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one (CID 156611655) is 2-(cyclopropanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one.
What is the SMILES notation for 2-(cyclopropanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The canonical SMILES for 2-(cyclopropanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one is CN1CCCCCCN(C(=O)C2CC2)C2CCCC2C1=O.
What is the InChIKey of 2-(cyclopropanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The InChIKey is BFJFYERWTFNOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-18-11-4-2-3-5-12-19(16(20)13-9-10-13)15-8-6-7-14(15)17(18)21/h13-15H,2-12H2,1H3.
What are the key properties of 2-(cyclopropanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
2-(cyclopropanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one has a molecular weight of 292.42 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one is sourced from PubChem (CID 156611655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).