(3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-4-methylpyrrolidin-2-one

C6H10FNO2 — CID 118414769

IUPAC(3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-4-methylpyrrolidin-2-one
SMILESC[C@@H]1[C@H](CO)NC(=O)[C@@H]1F
InChIInChI=1S/C6H10FNO2/c1-3-4(2-9)8-6(10)5(3)7/h3-5,9H,2H2,1H3,(H,8,10)/t3-,4+,5-/m1/s1
InChIKeySMEDWOWOJQRIPT-MROZADKFSA-N
MW147.15 g/mol
LogP-0.55
Rot. Bonds1

About (3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-4-methylpyrrolidin-2-one

(3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-4-methylpyrrolidin-2-one (PubChem CID 118414769) has the molecular formula C6H10FNO2 and a molecular weight of 147.15 g/mol. Its IUPAC name is (3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-4-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-4-methylpyrrolidin-2-one
PubChem CID118414769
Molecular FormulaC6H10FNO2
Molecular Weight147.15 g/mol
Exact Mass147.07
IUPAC Name(3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-4-methylpyrrolidin-2-one
SMILESC[C@@H]1[C@H](CO)NC(=O)[C@@H]1F
InChIInChI=1S/C6H10FNO2/c1-3-4(2-9)8-6(10)5(3)7/h3-5,9H,2H2,1H3,(H,8,10)/t3-,4+,5-/m1/s1
InChIKeySMEDWOWOJQRIPT-MROZADKFSA-N
XLogP-0.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.15
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R,5S)-5-(hydroxymethyl)-3,4-dimethylpyrrolidin-2-one
CID 129405542
(3S,4S,5R)-4,5-diethyl-3-fluoropyrrolidin-2-one
CID 139386195
(4S,5R)-4-(hydroxymethyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-one
CID 58605421
(4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-one
CID 172642030
3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-one
CID 5018466
6-(difluoromethyl)-4-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-2-one
CID 123504194
(1S,4S,5R,6S)-6-(difluoromethyl)-4-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-2-one
CID 118414662
(3S,4S)-3-hydrazinyl-4-(hydroxymethyl)azetidin-2-one
CID 57319641
3-hydrazinyl-4-(hydroxymethyl)azetidin-2-one
CID 54491574
1-[[(2S,3S,4S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxylic acid
CID 126622132
(3S,3aS,7aR)-3-(hydroxymethyl)-2,3,3a,4,7,7a-hexahydroisoindol-1-one
CID 67518726
1-[[(2S,3S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
CID 155582589

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-4-methylpyrrolidin-2-one?
The IUPAC name of (3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-4-methylpyrrolidin-2-one (CID 118414769) is (3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-4-methylpyrrolidin-2-one.
What is the SMILES notation for (3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-4-methylpyrrolidin-2-one?
The canonical SMILES for (3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-4-methylpyrrolidin-2-one is C[C@@H]1[C@H](CO)NC(=O)[C@@H]1F.
What is the InChIKey of (3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-4-methylpyrrolidin-2-one?
The InChIKey is SMEDWOWOJQRIPT-MROZADKFSA-N. The full InChI is InChI=1S/C6H10FNO2/c1-3-4(2-9)8-6(10)5(3)7/h3-5,9H,2H2,1H3,(H,8,10)/t3-,4+,5-/m1/s1.
What are the key properties of (3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-4-methylpyrrolidin-2-one?
(3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-4-methylpyrrolidin-2-one has a molecular weight of 147.15 g/mol, XLogP of -0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-4-methylpyrrolidin-2-one is sourced from PubChem (CID 118414769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).