(3R)-5-fluoro-3-methyl-1,3,3a,7a-tetrahydroindol-2-one

C9H10FNO — CID 166893417

IUPAC(3R)-5-fluoro-3-methyl-1,3,3a,7a-tetrahydroindol-2-one
SMILESC[C@H]1C(=O)NC2C=CC(F)=CC21
InChIInChI=1S/C9H10FNO/c1-5-7-4-6(10)2-3-8(7)11-9(5)12/h2-5,7-8H,1H3,(H,11,12)/t5-,7?,8?/m1/s1
InChIKeyLNPXVJMMMUIMCG-LDXLETFUSA-N
MW167.18 g/mol
LogP1.16
Rot. Bonds

About (3R)-5-fluoro-3-methyl-1,3,3a,7a-tetrahydroindol-2-one

(3R)-5-fluoro-3-methyl-1,3,3a,7a-tetrahydroindol-2-one (PubChem CID 166893417) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is (3R)-5-fluoro-3-methyl-1,3,3a,7a-tetrahydroindol-2-one.

Molecular Properties

Compound Name(3R)-5-fluoro-3-methyl-1,3,3a,7a-tetrahydroindol-2-one
PubChem CID166893417
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name(3R)-5-fluoro-3-methyl-1,3,3a,7a-tetrahydroindol-2-one
SMILESC[C@H]1C(=O)NC2C=CC(F)=CC21
InChIInChI=1S/C9H10FNO/c1-5-7-4-6(10)2-3-8(7)11-9(5)12/h2-5,7-8H,1H3,(H,11,12)/t5-,7?,8?/m1/s1
InChIKeyLNPXVJMMMUIMCG-LDXLETFUSA-N
XLogP1.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-5-fluoro-3-methyl-1,3,3a,7a-tetrahydroindol-2-one?
The IUPAC name of (3R)-5-fluoro-3-methyl-1,3,3a,7a-tetrahydroindol-2-one (CID 166893417) is (3R)-5-fluoro-3-methyl-1,3,3a,7a-tetrahydroindol-2-one.
What is the SMILES notation for (3R)-5-fluoro-3-methyl-1,3,3a,7a-tetrahydroindol-2-one?
The canonical SMILES for (3R)-5-fluoro-3-methyl-1,3,3a,7a-tetrahydroindol-2-one is C[C@H]1C(=O)NC2C=CC(F)=CC21.
What is the InChIKey of (3R)-5-fluoro-3-methyl-1,3,3a,7a-tetrahydroindol-2-one?
The InChIKey is LNPXVJMMMUIMCG-LDXLETFUSA-N. The full InChI is InChI=1S/C9H10FNO/c1-5-7-4-6(10)2-3-8(7)11-9(5)12/h2-5,7-8H,1H3,(H,11,12)/t5-,7?,8?/m1/s1.
What are the key properties of (3R)-5-fluoro-3-methyl-1,3,3a,7a-tetrahydroindol-2-one?
(3R)-5-fluoro-3-methyl-1,3,3a,7a-tetrahydroindol-2-one has a molecular weight of 167.18 g/mol, XLogP of 1.16, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-fluoro-3-methyl-1,3,3a,7a-tetrahydroindol-2-one is sourced from PubChem (CID 166893417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).