3-amino-1-(2-methyl-3-nitrophenyl)azetidin-2-one

C10H11N3O3 — CID 107810731

IUPAC3-amino-1-(2-methyl-3-nitrophenyl)azetidin-2-one
SMILESCc1c(N2CC(N)C2=O)cccc1[N+](=O)[O-]
InChIInChI=1S/C10H11N3O3/c1-6-8(12-5-7(11)10(12)14)3-2-4-9(6)13(15)16/h2-4,7H,5,11H2,1H3
InChIKeyTVNRQTUQTXUICN-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.58
Rot. Bonds2

About 3-amino-1-(2-methyl-3-nitrophenyl)azetidin-2-one

3-amino-1-(2-methyl-3-nitrophenyl)azetidin-2-one (PubChem CID 107810731) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 3-amino-1-(2-methyl-3-nitrophenyl)azetidin-2-one.

Molecular Properties

Compound Name3-amino-1-(2-methyl-3-nitrophenyl)azetidin-2-one
PubChem CID107810731
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name3-amino-1-(2-methyl-3-nitrophenyl)azetidin-2-one
SMILESCc1c(N2CC(N)C2=O)cccc1[N+](=O)[O-]
InChIInChI=1S/C10H11N3O3/c1-6-8(12-5-7(11)10(12)14)3-2-4-9(6)13(15)16/h2-4,7H,5,11H2,1H3
InChIKeyTVNRQTUQTXUICN-UHFFFAOYSA-N
XLogP0.58
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.58
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

ethyl (3S)-1-(2-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxylate
CID 94076207
3-methyl-1-(2-methyl-3-nitrophenyl)piperazine
CID 63076044
1-[1-(2-methyl-3-nitrophenyl)piperidin-4-yl]ethanamine
CID 55218228
4-methyl-1-(2-methyl-3-nitrophenyl)pyrazol-3-amine
CID 102942641
4-amino-1-(2-nitrophenyl)pyrrolidin-2-one
CID 168700800
(3S)-3-amino-1-(2-nitrophenyl)pyrrolidine-2,5-dione
CID 7336293
1-(2-methyl-3-nitrophenyl)piperidine-3-carbaldehyde
CID 63076082
1-[4-(2-methyl-3-nitrophenyl)piperazin-1-yl]ethanone
CID 68592977
(3S)-1-[(2-methyl-3-nitrophenyl)methyl]pyrrolidin-3-amine
CID 81491890
[1-(2-methyl-3-nitrophenyl)sulfonylpiperidin-4-yl]methanamine
CID 43605350
(3R)-1-(2-methyl-3-nitrophenyl)sulfonylpyrrolidin-3-ol
CID 66291461
[(3R)-3-aminopyrrolidin-1-yl]-(2-methyl-3-nitrophenyl)methanone
CID 81469493

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-methyl-3-nitrophenyl)azetidin-2-one?
The IUPAC name of 3-amino-1-(2-methyl-3-nitrophenyl)azetidin-2-one (CID 107810731) is 3-amino-1-(2-methyl-3-nitrophenyl)azetidin-2-one.
What is the SMILES notation for 3-amino-1-(2-methyl-3-nitrophenyl)azetidin-2-one?
The canonical SMILES for 3-amino-1-(2-methyl-3-nitrophenyl)azetidin-2-one is Cc1c(N2CC(N)C2=O)cccc1[N+](=O)[O-].
What is the InChIKey of 3-amino-1-(2-methyl-3-nitrophenyl)azetidin-2-one?
The InChIKey is TVNRQTUQTXUICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-6-8(12-5-7(11)10(12)14)3-2-4-9(6)13(15)16/h2-4,7H,5,11H2,1H3.
What are the key properties of 3-amino-1-(2-methyl-3-nitrophenyl)azetidin-2-one?
3-amino-1-(2-methyl-3-nitrophenyl)azetidin-2-one has a molecular weight of 221.22 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-methyl-3-nitrophenyl)azetidin-2-one is sourced from PubChem (CID 107810731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).