1-(cyclopropylmethyl)-7-fluoro-5-nitro-3H-indol-2-one

C12H11FN2O3 — CID 69274165

IUPAC1-(cyclopropylmethyl)-7-fluoro-5-nitro-3H-indol-2-one
SMILESO=C1Cc2cc([N+](=O)[O-])cc(F)c2N1CC1CC1
InChIInChI=1S/C12H11FN2O3/c13-10-5-9(15(17)18)3-8-4-11(16)14(12(8)10)6-7-1-2-7/h3,5,7H,1-2,4,6H2
InChIKeyRKMNEXJLXXTVNL-UHFFFAOYSA-N
MW250.23 g/mol
LogP2.03
Rot. Bonds3

About 1-(cyclopropylmethyl)-7-fluoro-5-nitro-3H-indol-2-one

1-(cyclopropylmethyl)-7-fluoro-5-nitro-3H-indol-2-one (PubChem CID 69274165) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-7-fluoro-5-nitro-3H-indol-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-7-fluoro-5-nitro-3H-indol-2-one
PubChem CID69274165
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC Name1-(cyclopropylmethyl)-7-fluoro-5-nitro-3H-indol-2-one
SMILESO=C1Cc2cc([N+](=O)[O-])cc(F)c2N1CC1CC1
InChIInChI=1S/C12H11FN2O3/c13-10-5-9(15(17)18)3-8-4-11(16)14(12(8)10)6-7-1-2-7/h3,5,7H,1-2,4,6H2
InChIKeyRKMNEXJLXXTVNL-UHFFFAOYSA-N
XLogP2.03
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-7-fluoro-5-nitro-3H-indol-2-one
CID 69275410
2-(cyclopropylmethyl)-5-nitroisoindole-1,3-dione
CID 22502087
4-amino-1-(2-bromo-6-fluoro-4-nitrophenyl)pyrrolidin-2-one
CID 168700438
1-(2,6-difluoro-4-nitrophenyl)pyrrolidin-3-ol
CID 58296081
(1S,5R)-3-(2,6-difluoro-4-nitrophenyl)-3-azabicyclo[3.1.0]hexan-6-ol
CID 59996355
(3R,5R)-1-(2,6-difluoro-4-nitrophenyl)-3,5-dimethylpiperidine
CID 124560155
(3R)-3-amino-1-(cyclopropylmethyl)-5-nitro-3H-indol-2-one
CID 51601065
1-(2,6-difluoro-4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697600
1-[26,27,28-tris(aziridin-1-yl)-5,11,17,23-tetranitro-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]aziridine
CID 102068424
4-[(2,6-difluoro-4-nitroanilino)methyl]cyclohexan-1-ol
CID 106130583
2-(5-nitro-2-oxo-3H-indol-1-yl)acetonitrile
CID 165104212
5-amino-1-ethyl-3H-indol-2-one;1-ethyl-5-nitro-3H-indol-2-one
CID 162255854

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-7-fluoro-5-nitro-3H-indol-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-7-fluoro-5-nitro-3H-indol-2-one (CID 69274165) is 1-(cyclopropylmethyl)-7-fluoro-5-nitro-3H-indol-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-7-fluoro-5-nitro-3H-indol-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-7-fluoro-5-nitro-3H-indol-2-one is O=C1Cc2cc([N+](=O)[O-])cc(F)c2N1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-7-fluoro-5-nitro-3H-indol-2-one?
The InChIKey is RKMNEXJLXXTVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3/c13-10-5-9(15(17)18)3-8-4-11(16)14(12(8)10)6-7-1-2-7/h3,5,7H,1-2,4,6H2.
What are the key properties of 1-(cyclopropylmethyl)-7-fluoro-5-nitro-3H-indol-2-one?
1-(cyclopropylmethyl)-7-fluoro-5-nitro-3H-indol-2-one has a molecular weight of 250.23 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-7-fluoro-5-nitro-3H-indol-2-one is sourced from PubChem (CID 69274165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).