(5R,6S)-5-(dimethylamino)-6-methyloxan-2-one

C8H15NO2 — CID 10920770

IUPAC(5R,6S)-5-(dimethylamino)-6-methyloxan-2-one
SMILESC[C@@H]1OC(=O)CC[C@H]1N(C)C
InChIInChI=1S/C8H15NO2/c1-6-7(9(2)3)4-5-8(10)11-6/h6-7H,4-5H2,1-3H3/t6-,7+/m0/s1
InChIKeyWDROSZRUXPQJSO-NKWVEPMBSA-N
MW157.21 g/mol
LogP0.64
Rot. Bonds1

About (5R,6S)-5-(dimethylamino)-6-methyloxan-2-one

(5R,6S)-5-(dimethylamino)-6-methyloxan-2-one (PubChem CID 10920770) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (5R,6S)-5-(dimethylamino)-6-methyloxan-2-one.

Molecular Properties

Compound Name(5R,6S)-5-(dimethylamino)-6-methyloxan-2-one
PubChem CID10920770
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(5R,6S)-5-(dimethylamino)-6-methyloxan-2-one
SMILESC[C@@H]1OC(=O)CC[C@H]1N(C)C
InChIInChI=1S/C8H15NO2/c1-6-7(9(2)3)4-5-8(10)11-6/h6-7H,4-5H2,1-3H3/t6-,7+/m0/s1
InChIKeyWDROSZRUXPQJSO-NKWVEPMBSA-N
XLogP0.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5R,6S)-5-iodo-6-methyloxan-2-one
CID 134865447
CID 167346597
CID 167346597
5-methyloxolan-2-one
CID 69397003
9,10-dimethyloxecan-2-one
CID 102227238
(5R,6R)-5-ethenyl-6-methyloxan-2-one
CID 11320973
6-methyloxan-2-one;5-methyloxolan-2-one
CID 142135496
6-methyloxan-2-one
CID 160564586
(15S)-15-methyl-oxacyclopentadecan-2-one
CID 86278289
(14R)-14-methyl-oxacyclotetradecan-2-one
CID 11009676
(16R)-16-methyl-oxacyclohexadecan-2-one
CID 10978020
6-methyl-5-pentyloxan-2-one
CID 170782002
(5R,6R)-5-(4-methoxyphenyl)-6-methyloxan-2-one
CID 15417025

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-5-(dimethylamino)-6-methyloxan-2-one?
The IUPAC name of (5R,6S)-5-(dimethylamino)-6-methyloxan-2-one (CID 10920770) is (5R,6S)-5-(dimethylamino)-6-methyloxan-2-one.
What is the SMILES notation for (5R,6S)-5-(dimethylamino)-6-methyloxan-2-one?
The canonical SMILES for (5R,6S)-5-(dimethylamino)-6-methyloxan-2-one is C[C@@H]1OC(=O)CC[C@H]1N(C)C.
What is the InChIKey of (5R,6S)-5-(dimethylamino)-6-methyloxan-2-one?
The InChIKey is WDROSZRUXPQJSO-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6-7(9(2)3)4-5-8(10)11-6/h6-7H,4-5H2,1-3H3/t6-,7+/m0/s1.
What are the key properties of (5R,6S)-5-(dimethylamino)-6-methyloxan-2-one?
(5R,6S)-5-(dimethylamino)-6-methyloxan-2-one has a molecular weight of 157.21 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-5-(dimethylamino)-6-methyloxan-2-one is sourced from PubChem (CID 10920770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).