(10S)-10-methyl-10-[(2S)-pyrrolidin-2-yl]oxecan-2-one

C14H25NO2 — CID 162885100

IUPAC(10S)-10-methyl-10-[(2S)-pyrrolidin-2-yl]oxecan-2-one
SMILESC[C@@]1([C@@H]2CCCN2)CCCCCCCC(=O)O1
InChIInChI=1S/C14H25NO2/c1-14(12-8-7-11-15-12)10-6-4-2-3-5-9-13(16)17-14/h12,15H,2-11H2,1H3/t12-,14-/m0/s1
InChIKeyHXFUVYFNBRBBPM-JSGCOSHPSA-N
MW239.36 g/mol
LogP2.78
Rot. Bonds1

About (10S)-10-methyl-10-[(2S)-pyrrolidin-2-yl]oxecan-2-one

(10S)-10-methyl-10-[(2S)-pyrrolidin-2-yl]oxecan-2-one (PubChem CID 162885100) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is (10S)-10-methyl-10-[(2S)-pyrrolidin-2-yl]oxecan-2-one.

Molecular Properties

Compound Name(10S)-10-methyl-10-[(2S)-pyrrolidin-2-yl]oxecan-2-one
PubChem CID162885100
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name(10S)-10-methyl-10-[(2S)-pyrrolidin-2-yl]oxecan-2-one
SMILESC[C@@]1([C@@H]2CCCN2)CCCCCCCC(=O)O1
InChIInChI=1S/C14H25NO2/c1-14(12-8-7-11-15-12)10-6-4-2-3-5-9-13(16)17-14/h12,15H,2-11H2,1H3/t12-,14-/m0/s1
InChIKeyHXFUVYFNBRBBPM-JSGCOSHPSA-N
XLogP2.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (10S)-10-methyl-10-[(2S)-pyrrolidin-2-yl]oxecan-2-one?
The IUPAC name of (10S)-10-methyl-10-[(2S)-pyrrolidin-2-yl]oxecan-2-one (CID 162885100) is (10S)-10-methyl-10-[(2S)-pyrrolidin-2-yl]oxecan-2-one.
What is the SMILES notation for (10S)-10-methyl-10-[(2S)-pyrrolidin-2-yl]oxecan-2-one?
The canonical SMILES for (10S)-10-methyl-10-[(2S)-pyrrolidin-2-yl]oxecan-2-one is C[C@@]1([C@@H]2CCCN2)CCCCCCCC(=O)O1.
What is the InChIKey of (10S)-10-methyl-10-[(2S)-pyrrolidin-2-yl]oxecan-2-one?
The InChIKey is HXFUVYFNBRBBPM-JSGCOSHPSA-N. The full InChI is InChI=1S/C14H25NO2/c1-14(12-8-7-11-15-12)10-6-4-2-3-5-9-13(16)17-14/h12,15H,2-11H2,1H3/t12-,14-/m0/s1.
What are the key properties of (10S)-10-methyl-10-[(2S)-pyrrolidin-2-yl]oxecan-2-one?
(10S)-10-methyl-10-[(2S)-pyrrolidin-2-yl]oxecan-2-one has a molecular weight of 239.36 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-10-methyl-10-[(2S)-pyrrolidin-2-yl]oxecan-2-one is sourced from PubChem (CID 162885100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).