6-fluoro-1-propyl-3a,4-dihydro-3H-indol-2-one

C11H14FNO — CID 141049129

IUPAC6-fluoro-1-propyl-3a,4-dihydro-3H-indol-2-one
SMILESCCCN1C(=O)CC2CC=C(F)C=C21
InChIInChI=1S/C11H14FNO/c1-2-5-13-10-7-9(12)4-3-8(10)6-11(13)14/h4,7-8H,2-3,5-6H2,1H3
InChIKeyYHKVHVGNVNBAFO-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.39
Rot. Bonds2

About 6-fluoro-1-propyl-3a,4-dihydro-3H-indol-2-one

6-fluoro-1-propyl-3a,4-dihydro-3H-indol-2-one (PubChem CID 141049129) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 6-fluoro-1-propyl-3a,4-dihydro-3H-indol-2-one.

Molecular Properties

Compound Name6-fluoro-1-propyl-3a,4-dihydro-3H-indol-2-one
PubChem CID141049129
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name6-fluoro-1-propyl-3a,4-dihydro-3H-indol-2-one
SMILESCCCN1C(=O)CC2CC=C(F)C=C21
InChIInChI=1S/C11H14FNO/c1-2-5-13-10-7-9(12)4-3-8(10)6-11(13)14/h4,7-8H,2-3,5-6H2,1H3
InChIKeyYHKVHVGNVNBAFO-UHFFFAOYSA-N
XLogP2.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-propyl-3a,4-dihydro-3H-indol-2-one?
The IUPAC name of 6-fluoro-1-propyl-3a,4-dihydro-3H-indol-2-one (CID 141049129) is 6-fluoro-1-propyl-3a,4-dihydro-3H-indol-2-one.
What is the SMILES notation for 6-fluoro-1-propyl-3a,4-dihydro-3H-indol-2-one?
The canonical SMILES for 6-fluoro-1-propyl-3a,4-dihydro-3H-indol-2-one is CCCN1C(=O)CC2CC=C(F)C=C21.
What is the InChIKey of 6-fluoro-1-propyl-3a,4-dihydro-3H-indol-2-one?
The InChIKey is YHKVHVGNVNBAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-2-5-13-10-7-9(12)4-3-8(10)6-11(13)14/h4,7-8H,2-3,5-6H2,1H3.
What are the key properties of 6-fluoro-1-propyl-3a,4-dihydro-3H-indol-2-one?
6-fluoro-1-propyl-3a,4-dihydro-3H-indol-2-one has a molecular weight of 195.24 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-propyl-3a,4-dihydro-3H-indol-2-one is sourced from PubChem (CID 141049129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).