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

C20H34N2O2 — CID 110199386

IUPAC(1S,11R)-2-(2-cyclopentylacetyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
SMILESCN1CCCCCCN(C(=O)CC2CCCC2)[C@H]2CCC[C@H]2C1=O
InChIInChI=1S/C20H34N2O2/c1-21-13-6-2-3-7-14-22(18-12-8-11-17(18)20(21)24)19(23)15-16-9-4-5-10-16/h16-18H,2-15H2,1H3/t17-,18+/m1/s1
InChIKeyXFUSDARWIJNDTH-MSOLQXFVSA-N
MW334.50 g/mol
LogP3.60
Rot. Bonds2

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

(1S,11R)-2-(2-cyclopentylacetyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one (PubChem CID 110199386) has the molecular formula C20H34N2O2 and a molecular weight of 334.50 g/mol. Its IUPAC name is (1S,11R)-2-(2-cyclopentylacetyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one.

Molecular Properties

Compound Name(1S,11R)-2-(2-cyclopentylacetyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
PubChem CID110199386
Molecular FormulaC20H34N2O2
Molecular Weight334.50 g/mol
Exact Mass334.26
IUPAC Name(1S,11R)-2-(2-cyclopentylacetyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
SMILESCN1CCCCCCN(C(=O)CC2CCCC2)[C@H]2CCC[C@H]2C1=O
InChIInChI=1S/C20H34N2O2/c1-21-13-6-2-3-7-14-22(18-12-8-11-17(18)20(21)24)19(23)15-16-9-4-5-10-16/h16-18H,2-15H2,1H3/t17-,18+/m1/s1
InChIKeyXFUSDARWIJNDTH-MSOLQXFVSA-N
XLogP3.60
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.50
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,11R)-2-(2-cyclopentylacetyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The IUPAC name of (1S,11R)-2-(2-cyclopentylacetyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one (CID 110199386) is (1S,11R)-2-(2-cyclopentylacetyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one.
What is the SMILES notation for (1S,11R)-2-(2-cyclopentylacetyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The canonical SMILES for (1S,11R)-2-(2-cyclopentylacetyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one is CN1CCCCCCN(C(=O)CC2CCCC2)[C@H]2CCC[C@H]2C1=O.
What is the InChIKey of (1S,11R)-2-(2-cyclopentylacetyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The InChIKey is XFUSDARWIJNDTH-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H34N2O2/c1-21-13-6-2-3-7-14-22(18-12-8-11-17(18)20(21)24)19(23)15-16-9-4-5-10-16/h16-18H,2-15H2,1H3/t17-,18+/m1/s1.
What are the key properties of (1S,11R)-2-(2-cyclopentylacetyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
(1S,11R)-2-(2-cyclopentylacetyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one has a molecular weight of 334.50 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,11R)-2-(2-cyclopentylacetyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one is sourced from PubChem (CID 110199386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).