2,9-diazabicyclo[9.3.0]tetradecan-10-one

C12H22N2O — CID 126837540

IUPAC2,9-diazabicyclo[9.3.0]tetradecan-10-one
SMILESO=C1NCCCCCCNC2CCCC12
InChIInChI=1S/C12H22N2O/c15-12-10-6-5-7-11(10)13-8-3-1-2-4-9-14-12/h10-11,13H,1-9H2,(H,14,15)
InChIKeyBMWVYXFGEQCOFA-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.43
Rot. Bonds

About 2,9-diazabicyclo[9.3.0]tetradecan-10-one

2,9-diazabicyclo[9.3.0]tetradecan-10-one (PubChem CID 126837540) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2,9-diazabicyclo[9.3.0]tetradecan-10-one.

Molecular Properties

Compound Name2,9-diazabicyclo[9.3.0]tetradecan-10-one
PubChem CID126837540
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2,9-diazabicyclo[9.3.0]tetradecan-10-one
SMILESO=C1NCCCCCCNC2CCCC12
InChIInChI=1S/C12H22N2O/c15-12-10-6-5-7-11(10)13-8-3-1-2-4-9-14-12/h10-11,13H,1-9H2,(H,14,15)
InChIKeyBMWVYXFGEQCOFA-UHFFFAOYSA-N
XLogP1.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 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

Related Compounds

(3S)-3-[(2R)-pyrrolidin-2-yl]pyrrolidin-2-one
CID 178194652
(3S)-3-cyclohexylpiperidin-2-one
CID 124514859
6-azabicyclo[3.2.0]heptan-7-one
CID 549320
(3S,6S)-3,6-bis[(2R)-piperidin-2-yl]piperazine-2,5-dione
CID 102319648
(2R)-2-[(2S)-pyrrolidin-2-yl]cyclopentan-1-one
CID 97048991
(4aR,8aS)-2,3,4,4a,6,7,8,8a-octahydro-1H-quinolin-5-one
CID 70494313
1,3,4,5a,6,7,8,8a-octahydrocyclopenta[e][1,4]diazepine-2,5-dione
CID 86227949
(12R)-13-azabicyclo[10.2.0]tetradecan-14-one
CID 58388573
3-cyclohex-2-en-1-ylazepan-2-one
CID 114620899
(1R,4R,9R,12R,17R,20R)-2,10,18-triazatetracyclo[18.4.0.04,9.012,17]tetracosane-3,11,19-trione
CID 11646502
3-cyclobutylpyrrolidin-2-one
CID 105428038
3-[(2-pyrrolidin-2-ylcyclopentyl)amino]piperidin-2-one
CID 79543600

Frequently Asked Questions

What is the IUPAC name of 2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The IUPAC name of 2,9-diazabicyclo[9.3.0]tetradecan-10-one (CID 126837540) is 2,9-diazabicyclo[9.3.0]tetradecan-10-one.
What is the SMILES notation for 2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The canonical SMILES for 2,9-diazabicyclo[9.3.0]tetradecan-10-one is O=C1NCCCCCCNC2CCCC12.
What is the InChIKey of 2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The InChIKey is BMWVYXFGEQCOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c15-12-10-6-5-7-11(10)13-8-3-1-2-4-9-14-12/h10-11,13H,1-9H2,(H,14,15).
What are the key properties of 2,9-diazabicyclo[9.3.0]tetradecan-10-one?
2,9-diazabicyclo[9.3.0]tetradecan-10-one has a molecular weight of 210.32 g/mol, XLogP of 1.43, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-diazabicyclo[9.3.0]tetradecan-10-one is sourced from PubChem (CID 126837540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).