(1S,11R)-2-(cyclobutanecarbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one

C17H28N2O2 — CID 110199253

IUPAC(1S,11R)-2-(cyclobutanecarbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one
SMILESO=C1NCCCCCCN(C(=O)C2CCC2)[C@H]2CCC[C@@H]12
InChIInChI=1S/C17H28N2O2/c20-16-14-9-6-10-15(14)19(17(21)13-7-5-8-13)12-4-2-1-3-11-18-16/h13-15H,1-12H2,(H,18,20)/t14-,15+/m1/s1
InChIKeyIISAIASQXJRVGX-CABCVRRESA-N
MW292.42 g/mol
LogP2.47
Rot. Bonds1

About (1S,11R)-2-(cyclobutanecarbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one

(1S,11R)-2-(cyclobutanecarbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one (PubChem CID 110199253) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is (1S,11R)-2-(cyclobutanecarbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one.

Molecular Properties

Compound Name(1S,11R)-2-(cyclobutanecarbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one
PubChem CID110199253
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name(1S,11R)-2-(cyclobutanecarbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one
SMILESO=C1NCCCCCCN(C(=O)C2CCC2)[C@H]2CCC[C@@H]12
InChIInChI=1S/C17H28N2O2/c20-16-14-9-6-10-15(14)19(17(21)13-7-5-8-13)12-4-2-1-3-11-18-16/h13-15H,1-12H2,(H,18,20)/t14-,15+/m1/s1
InChIKeyIISAIASQXJRVGX-CABCVRRESA-N
XLogP2.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,11R)-2-(cyclobutanecarbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The IUPAC name of (1S,11R)-2-(cyclobutanecarbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one (CID 110199253) is (1S,11R)-2-(cyclobutanecarbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one.
What is the SMILES notation for (1S,11R)-2-(cyclobutanecarbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The canonical SMILES for (1S,11R)-2-(cyclobutanecarbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one is O=C1NCCCCCCN(C(=O)C2CCC2)[C@H]2CCC[C@@H]12.
What is the InChIKey of (1S,11R)-2-(cyclobutanecarbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The InChIKey is IISAIASQXJRVGX-CABCVRRESA-N. The full InChI is InChI=1S/C17H28N2O2/c20-16-14-9-6-10-15(14)19(17(21)13-7-5-8-13)12-4-2-1-3-11-18-16/h13-15H,1-12H2,(H,18,20)/t14-,15+/m1/s1.
What are the key properties of (1S,11R)-2-(cyclobutanecarbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
(1S,11R)-2-(cyclobutanecarbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one has a molecular weight of 292.42 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,11R)-2-(cyclobutanecarbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one is sourced from PubChem (CID 110199253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).