1-[(2-aminocyclopropyl)methyl]-5-fluoro-3H-indol-2-one

C12H13FN2O — CID 76853933

IUPAC1-[(2-aminocyclopropyl)methyl]-5-fluoro-3H-indol-2-one
SMILESNC1CC1CN1C(=O)Cc2cc(F)ccc21
InChIInChI=1S/C12H13FN2O/c13-9-1-2-11-7(3-9)5-12(16)15(11)6-8-4-10(8)14/h1-3,8,10H,4-6,14H2
InChIKeyDSRXLRNYOIBCSQ-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.06
Rot. Bonds2

About 1-[(2-aminocyclopropyl)methyl]-5-fluoro-3H-indol-2-one

1-[(2-aminocyclopropyl)methyl]-5-fluoro-3H-indol-2-one (PubChem CID 76853933) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 1-[(2-aminocyclopropyl)methyl]-5-fluoro-3H-indol-2-one.

Molecular Properties

Compound Name1-[(2-aminocyclopropyl)methyl]-5-fluoro-3H-indol-2-one
PubChem CID76853933
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name1-[(2-aminocyclopropyl)methyl]-5-fluoro-3H-indol-2-one
SMILESNC1CC1CN1C(=O)Cc2cc(F)ccc21
InChIInChI=1S/C12H13FN2O/c13-9-1-2-11-7(3-9)5-12(16)15(11)6-8-4-10(8)14/h1-3,8,10H,4-6,14H2
InChIKeyDSRXLRNYOIBCSQ-UHFFFAOYSA-N
XLogP1.06
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-1-(2-oxo-2-piperidin-1-ylethyl)-3H-indol-2-one
CID 155958104
5-amino-1-(cyclobutylmethyl)-3H-indol-2-one
CID 65457808
1-[(2,5-difluorophenyl)methyl]-5-iodo-3H-indol-2-one
CID 79787371
5-amino-1-(cyclohexylmethyl)-3H-indol-2-one
CID 43382539
N-[(E)-benzylideneamino]-2-(5-fluoro-2-oxo-3H-indol-1-yl)acetamide
CID 167527215
1-[3-(4-benzhydryloxypiperidin-1-yl)propyl]-5-fluoro-3H-indol-2-one
CID 22158363
ethyl (1S,5S)-3-[[(3S)-3-(5-fluoro-2-oxo-3H-indol-1-yl)pyrrolidin-1-yl]methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 71724867
5-amino-1-(sulfanylmethyl)-3H-indol-2-one
CID 115227602
3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide
CID 111696915
1-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-5-hydroxy-3H-indol-2-one
CID 58172371
1-(2-cyclopentyl-2-oxoethyl)-6-fluoro-3,4-dihydroquinolin-2-one
CID 104751280
N,1-bis[(4-fluorophenyl)methyl]-2-oxo-3H-indole-5-carboxamide
CID 71840635

Frequently Asked Questions

What is the IUPAC name of 1-[(2-aminocyclopropyl)methyl]-5-fluoro-3H-indol-2-one?
The IUPAC name of 1-[(2-aminocyclopropyl)methyl]-5-fluoro-3H-indol-2-one (CID 76853933) is 1-[(2-aminocyclopropyl)methyl]-5-fluoro-3H-indol-2-one.
What is the SMILES notation for 1-[(2-aminocyclopropyl)methyl]-5-fluoro-3H-indol-2-one?
The canonical SMILES for 1-[(2-aminocyclopropyl)methyl]-5-fluoro-3H-indol-2-one is NC1CC1CN1C(=O)Cc2cc(F)ccc21.
What is the InChIKey of 1-[(2-aminocyclopropyl)methyl]-5-fluoro-3H-indol-2-one?
The InChIKey is DSRXLRNYOIBCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c13-9-1-2-11-7(3-9)5-12(16)15(11)6-8-4-10(8)14/h1-3,8,10H,4-6,14H2.
What are the key properties of 1-[(2-aminocyclopropyl)methyl]-5-fluoro-3H-indol-2-one?
1-[(2-aminocyclopropyl)methyl]-5-fluoro-3H-indol-2-one has a molecular weight of 220.25 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-aminocyclopropyl)methyl]-5-fluoro-3H-indol-2-one is sourced from PubChem (CID 76853933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).