(4S,5S)-5-[(2S)-butan-2-yl]-4-methoxy-1-methylpyrrolidin-2-one

C10H19NO2 — CID 10081116

IUPAC(4S,5S)-5-[(2S)-butan-2-yl]-4-methoxy-1-methylpyrrolidin-2-one
SMILESCC[C@H](C)[C@H]1[C@@H](OC)CC(=O)N1C
InChIInChI=1S/C10H19NO2/c1-5-7(2)10-8(13-4)6-9(12)11(10)3/h7-8,10H,5-6H2,1-4H3/t7-,8-,10-/m0/s1
InChIKeyBFIVHTAILIWJKK-NRPADANISA-N
MW185.27 g/mol
LogP1.28
Rot. Bonds3

About (4S,5S)-5-[(2S)-butan-2-yl]-4-methoxy-1-methylpyrrolidin-2-one

(4S,5S)-5-[(2S)-butan-2-yl]-4-methoxy-1-methylpyrrolidin-2-one (PubChem CID 10081116) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (4S,5S)-5-[(2S)-butan-2-yl]-4-methoxy-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-5-[(2S)-butan-2-yl]-4-methoxy-1-methylpyrrolidin-2-one
PubChem CID10081116
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(4S,5S)-5-[(2S)-butan-2-yl]-4-methoxy-1-methylpyrrolidin-2-one
SMILESCC[C@H](C)[C@H]1[C@@H](OC)CC(=O)N1C
InChIInChI=1S/C10H19NO2/c1-5-7(2)10-8(13-4)6-9(12)11(10)3/h7-8,10H,5-6H2,1-4H3/t7-,8-,10-/m0/s1
InChIKeyBFIVHTAILIWJKK-NRPADANISA-N
XLogP1.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R,8S)-1-methoxy-2-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 45089001
(1S,2S,8S)-1-methoxy-2-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 134855933
4-(Dimethylamino)-1-[4-fluoro-2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-3-methoxy-5-methylheptan-1-one
CID 145134951
4-Butan-2-yl-1-[4-fluoro-2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-3-methoxyoctan-1-one
CID 145135146
(4R,5S)-5-[(2S)-butan-2-yl]-4-methoxypyrrolidin-2-one
CID 57082702
(3R,5S)-4-(dimethylamino)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxobutyl]pyrrolidin-1-yl]-5-methylheptan-1-one
CID 57669708
(4R,5S)-4,5-dimethyl-3-[(4S)-4-methylheptanoyl]-1,3-oxazolidin-2-one
CID 59099742
(4R,5S)-4,5-dimethyl-3-[(4R)-4-methylheptanoyl]-1,3-oxazolidin-2-one
CID 59099744
5-Methyl-1-[2-(propan-2-yloxymethyl)pyrrolidin-1-yl]hexan-1-one
CID 59565925
3-methoxy-N,2-dimethyl-3-[(2S)-1-methylpyrrolidin-2-yl]propanamide
CID 59974255
(4R,5S)-1-tert-butyl-5-cyclopropyl-4-hydroxypyrrolidin-2-one
CID 68723556
(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxobutyl]pyrrolidin-1-yl]-4,5-dimethylheptan-1-one
CID 71004168

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-[(2S)-butan-2-yl]-4-methoxy-1-methylpyrrolidin-2-one?
The IUPAC name of (4S,5S)-5-[(2S)-butan-2-yl]-4-methoxy-1-methylpyrrolidin-2-one (CID 10081116) is (4S,5S)-5-[(2S)-butan-2-yl]-4-methoxy-1-methylpyrrolidin-2-one.
What is the SMILES notation for (4S,5S)-5-[(2S)-butan-2-yl]-4-methoxy-1-methylpyrrolidin-2-one?
The canonical SMILES for (4S,5S)-5-[(2S)-butan-2-yl]-4-methoxy-1-methylpyrrolidin-2-one is CC[C@H](C)[C@H]1[C@@H](OC)CC(=O)N1C.
What is the InChIKey of (4S,5S)-5-[(2S)-butan-2-yl]-4-methoxy-1-methylpyrrolidin-2-one?
The InChIKey is BFIVHTAILIWJKK-NRPADANISA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-7(2)10-8(13-4)6-9(12)11(10)3/h7-8,10H,5-6H2,1-4H3/t7-,8-,10-/m0/s1.
What are the key properties of (4S,5S)-5-[(2S)-butan-2-yl]-4-methoxy-1-methylpyrrolidin-2-one?
(4S,5S)-5-[(2S)-butan-2-yl]-4-methoxy-1-methylpyrrolidin-2-one has a molecular weight of 185.27 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-[(2S)-butan-2-yl]-4-methoxy-1-methylpyrrolidin-2-one is sourced from PubChem (CID 10081116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).