3-(ethylamino)-1-(3-fluoro-5-nitrophenyl)pyrrolidin-2-one

C12H14FN3O3 — CID 107335685

IUPAC3-(ethylamino)-1-(3-fluoro-5-nitrophenyl)pyrrolidin-2-one
SMILESCCNC1CCN(c2cc(F)cc([N+](=O)[O-])c2)C1=O
InChIInChI=1S/C12H14FN3O3/c1-2-14-11-3-4-15(12(11)17)9-5-8(13)6-10(7-9)16(18)19/h5-7,11,14H,2-4H2,1H3
InChIKeyQBBCAEDCRWQTHZ-UHFFFAOYSA-N
MW267.26 g/mol
LogP1.45
Rot. Bonds4

About 3-(ethylamino)-1-(3-fluoro-5-nitrophenyl)pyrrolidin-2-one

3-(ethylamino)-1-(3-fluoro-5-nitrophenyl)pyrrolidin-2-one (PubChem CID 107335685) has the molecular formula C12H14FN3O3 and a molecular weight of 267.26 g/mol. Its IUPAC name is 3-(ethylamino)-1-(3-fluoro-5-nitrophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(ethylamino)-1-(3-fluoro-5-nitrophenyl)pyrrolidin-2-one
PubChem CID107335685
Molecular FormulaC12H14FN3O3
Molecular Weight267.26 g/mol
Exact Mass267.10
IUPAC Name3-(ethylamino)-1-(3-fluoro-5-nitrophenyl)pyrrolidin-2-one
SMILESCCNC1CCN(c2cc(F)cc([N+](=O)[O-])c2)C1=O
InChIInChI=1S/C12H14FN3O3/c1-2-14-11-3-4-15(12(11)17)9-5-8(13)6-10(7-9)16(18)19/h5-7,11,14H,2-4H2,1H3
InChIKeyQBBCAEDCRWQTHZ-UHFFFAOYSA-N
XLogP1.45
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2,5-difluorophenyl)-3-(ethylamino)pyrrolidin-2-one
CID 54973009
1-[1-(3-fluoro-5-nitrophenyl)pyrrolidin-2-yl]-N-methylmethanamine
CID 113285358
3-(ethylamino)-1-(2,3,4-trifluorophenyl)pyrrolidin-2-one
CID 54972958
1-(3-fluoro-5-nitrophenyl)pyrrolidine
CID 22636164
1-(3-fluoro-5-nitrophenyl)-4-methylpiperidin-4-ol
CID 81115093
3-(ethylamino)-1-quinolin-3-ylpyrrolidin-2-one
CID 55115356
1-(3-butan-2-yloxyphenyl)-3-(ethylamino)pyrrolidin-2-one
CID 62329429
(3R)-1-(3-fluoro-5-nitrophenyl)piperidin-3-amine
CID 102986457
3-(4-fluoro-2-nitroanilino)-1-(4-methylphenyl)pyrrolidin-2-one
CID 133353914
2-ethyl-1-(3-fluoro-5-nitrophenyl)pyrrolidine-2-carboxylic acid
CID 83071015
1-(1,3-benzothiazol-6-yl)-3-(ethylamino)pyrrolidin-2-one
CID 114002787
N-ethyl-2-[(3-fluoro-5-nitrophenyl)methyl]-4-methylcyclohexan-1-amine
CID 115980837

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-1-(3-fluoro-5-nitrophenyl)pyrrolidin-2-one?
The IUPAC name of 3-(ethylamino)-1-(3-fluoro-5-nitrophenyl)pyrrolidin-2-one (CID 107335685) is 3-(ethylamino)-1-(3-fluoro-5-nitrophenyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(ethylamino)-1-(3-fluoro-5-nitrophenyl)pyrrolidin-2-one?
The canonical SMILES for 3-(ethylamino)-1-(3-fluoro-5-nitrophenyl)pyrrolidin-2-one is CCNC1CCN(c2cc(F)cc([N+](=O)[O-])c2)C1=O.
What is the InChIKey of 3-(ethylamino)-1-(3-fluoro-5-nitrophenyl)pyrrolidin-2-one?
The InChIKey is QBBCAEDCRWQTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O3/c1-2-14-11-3-4-15(12(11)17)9-5-8(13)6-10(7-9)16(18)19/h5-7,11,14H,2-4H2,1H3.
What are the key properties of 3-(ethylamino)-1-(3-fluoro-5-nitrophenyl)pyrrolidin-2-one?
3-(ethylamino)-1-(3-fluoro-5-nitrophenyl)pyrrolidin-2-one has a molecular weight of 267.26 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-1-(3-fluoro-5-nitrophenyl)pyrrolidin-2-one is sourced from PubChem (CID 107335685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).