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

C18H30N2O2 — CID 110199361

IUPAC(1S,11R)-2-(cyclobutanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
SMILESCN1CCCCCCN(C(=O)C2CCC2)[C@H]2CCC[C@H]2C1=O
InChIInChI=1S/C18H30N2O2/c1-19-12-4-2-3-5-13-20(17(21)14-8-6-9-14)16-11-7-10-15(16)18(19)22/h14-16H,2-13H2,1H3/t15-,16+/m1/s1
InChIKeyIYLKFWTXFJSAJT-CVEARBPZSA-N
MW306.45 g/mol
LogP2.82
Rot. Bonds1

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

(1S,11R)-2-(cyclobutanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one (PubChem CID 110199361) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is (1S,11R)-2-(cyclobutanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one.

Molecular Properties

Compound Name(1S,11R)-2-(cyclobutanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
PubChem CID110199361
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name(1S,11R)-2-(cyclobutanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
SMILESCN1CCCCCCN(C(=O)C2CCC2)[C@H]2CCC[C@H]2C1=O
InChIInChI=1S/C18H30N2O2/c1-19-12-4-2-3-5-13-20(17(21)14-8-6-9-14)16-11-7-10-15(16)18(19)22/h14-16H,2-13H2,1H3/t15-,16+/m1/s1
InChIKeyIYLKFWTXFJSAJT-CVEARBPZSA-N
XLogP2.82
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,11R)-2-(cyclobutanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The IUPAC name of (1S,11R)-2-(cyclobutanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one (CID 110199361) is (1S,11R)-2-(cyclobutanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one.
What is the SMILES notation for (1S,11R)-2-(cyclobutanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The canonical SMILES for (1S,11R)-2-(cyclobutanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one is CN1CCCCCCN(C(=O)C2CCC2)[C@H]2CCC[C@H]2C1=O.
What is the InChIKey of (1S,11R)-2-(cyclobutanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The InChIKey is IYLKFWTXFJSAJT-CVEARBPZSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-19-12-4-2-3-5-13-20(17(21)14-8-6-9-14)16-11-7-10-15(16)18(19)22/h14-16H,2-13H2,1H3/t15-,16+/m1/s1.
What are the key properties of (1S,11R)-2-(cyclobutanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
(1S,11R)-2-(cyclobutanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one has a molecular weight of 306.45 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,11R)-2-(cyclobutanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one is sourced from PubChem (CID 110199361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).