(1R,2R)-2-(4-fluorophenyl)-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one

C17H14FNO — CID 71606779

IUPAC(1R,2R)-2-(4-fluorophenyl)-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
SMILESCN1C(=O)[C@@]2(C[C@@H]2c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C17H14FNO/c1-19-15-5-3-2-4-13(15)17(16(19)20)10-14(17)11-6-8-12(18)9-7-11/h2-9,14H,10H2,1H3/t14-,17+/m1/s1
InChIKeySTFCUWDONFHSMQ-PBHICJAKSA-N
MW267.30 g/mol
LogP3.23
Rot. Bonds1

About (1R,2R)-2-(4-fluorophenyl)-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one

(1R,2R)-2-(4-fluorophenyl)-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one (PubChem CID 71606779) has the molecular formula C17H14FNO and a molecular weight of 267.30 g/mol. Its IUPAC name is (1R,2R)-2-(4-fluorophenyl)-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one.

Molecular Properties

Compound Name(1R,2R)-2-(4-fluorophenyl)-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
PubChem CID71606779
Molecular FormulaC17H14FNO
Molecular Weight267.30 g/mol
Exact Mass267.11
IUPAC Name(1R,2R)-2-(4-fluorophenyl)-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
SMILESCN1C(=O)[C@@]2(C[C@@H]2c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C17H14FNO/c1-19-15-5-3-2-4-13(15)17(16(19)20)10-14(17)11-6-8-12(18)9-7-11/h2-9,14H,10H2,1H3/t14-,17+/m1/s1
InChIKeySTFCUWDONFHSMQ-PBHICJAKSA-N
XLogP3.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 84719129
(1R,2S)-2-(3-iodo-2H-indazol-6-yl)-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 58486280
2-(3-ethyl-2H-indazol-6-yl)-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 123749735
4-[[2-(4-fluorophenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]methyl]benzoic acid
CID 67234010
3-[[(1R,2R)-2-(4-fluorophenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]methyl]benzoic acid
CID 53246101
(2'R,3R)-2'-(4-hydroxyphenyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 7032098
(1S,2R)-1'-(2-bromoethyl)-2-(4-chlorophenyl)spiro[cyclopropane-1,3'-indole]-2'-one
CID 58305388
3-(4-fluorophenyl)-3-(iodomethyl)-1-methylindol-2-one
CID 138984759
3-[[(1R,2S)-2-(4-fluorophenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]methyl]-N-methylsulfonylbenzamide
CID 67233581
3-[[(1S,2R)-2-(4-fluorophenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]methyl]-N-methylsulfonylbenzamide
CID 67234413
1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 14317864
3-(4-methoxyphenyl)-1'-methylspiro[cyclopentene-4,3'-indole]-2'-one
CID 177493075

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-(4-fluorophenyl)-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one?
The IUPAC name of (1R,2R)-2-(4-fluorophenyl)-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one (CID 71606779) is (1R,2R)-2-(4-fluorophenyl)-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one.
What is the SMILES notation for (1R,2R)-2-(4-fluorophenyl)-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one?
The canonical SMILES for (1R,2R)-2-(4-fluorophenyl)-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one is CN1C(=O)[C@@]2(C[C@@H]2c2ccc(F)cc2)c2ccccc21.
What is the InChIKey of (1R,2R)-2-(4-fluorophenyl)-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one?
The InChIKey is STFCUWDONFHSMQ-PBHICJAKSA-N. The full InChI is InChI=1S/C17H14FNO/c1-19-15-5-3-2-4-13(15)17(16(19)20)10-14(17)11-6-8-12(18)9-7-11/h2-9,14H,10H2,1H3/t14-,17+/m1/s1.
What are the key properties of (1R,2R)-2-(4-fluorophenyl)-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one?
(1R,2R)-2-(4-fluorophenyl)-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one has a molecular weight of 267.30 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-(4-fluorophenyl)-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one is sourced from PubChem (CID 71606779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).