3-(methylamino)-1-(2-nitrophenyl)prop-2-en-1-one

C10H10N2O3 — CID 75609461

IUPAC3-(methylamino)-1-(2-nitrophenyl)prop-2-en-1-one
SMILESCNC=CC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H10N2O3/c1-11-7-6-10(13)8-4-2-3-5-9(8)12(14)15/h2-7,11H,1H3
InChIKeyUBKIMLHUGUJNEY-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.51
Rot. Bonds4

About 3-(methylamino)-1-(2-nitrophenyl)prop-2-en-1-one

3-(methylamino)-1-(2-nitrophenyl)prop-2-en-1-one (PubChem CID 75609461) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 3-(methylamino)-1-(2-nitrophenyl)prop-2-en-1-one.

Molecular Properties

Compound Name3-(methylamino)-1-(2-nitrophenyl)prop-2-en-1-one
PubChem CID75609461
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name3-(methylamino)-1-(2-nitrophenyl)prop-2-en-1-one
SMILESCNC=CC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H10N2O3/c1-11-7-6-10(13)8-4-2-3-5-9(8)12(14)15/h2-7,11H,1H3
InChIKeyUBKIMLHUGUJNEY-UHFFFAOYSA-N
XLogP1.51
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(2-fluorophenyl)-1-(2-nitrophenyl)prop-2-en-1-one
CID 19561003
1,2-bis(2-nitrophenyl)ethane-1,2-dione
CID 15851155
2-(methylamino)-1-(2-nitrophenyl)ethanone
CID 23083587
(E)-1-(2-nitrophenyl)-5-phenylpent-2-en-1-one
CID 172775639
3-anilino-1-(2-nitrophenyl)but-2-en-1-one
CID 75609464
benzene;2-nitrobenzoic acid
CID 19891435
ethane;methane;1-(2-nitrophenyl)ethanone
CID 161143607
acetic acid;(2-nitrophenyl)-phenylmethanone
CID 172806545
(E)-1-(2-nitrophenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 9447942
(E)-3-(4-bromothiophen-2-yl)-1-(2-nitrophenyl)prop-2-en-1-one
CID 9447990
(E)-3-(2,5-dimethoxyphenyl)-1-(2-nitrophenyl)prop-2-en-1-one
CID 19561012
(E)-3-(1-ethyl-5-methylpyrazol-4-yl)-1-(2-nitrophenyl)prop-2-en-1-one
CID 19561011

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-(2-nitrophenyl)prop-2-en-1-one?
The IUPAC name of 3-(methylamino)-1-(2-nitrophenyl)prop-2-en-1-one (CID 75609461) is 3-(methylamino)-1-(2-nitrophenyl)prop-2-en-1-one.
What is the SMILES notation for 3-(methylamino)-1-(2-nitrophenyl)prop-2-en-1-one?
The canonical SMILES for 3-(methylamino)-1-(2-nitrophenyl)prop-2-en-1-one is CNC=CC(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 3-(methylamino)-1-(2-nitrophenyl)prop-2-en-1-one?
The InChIKey is UBKIMLHUGUJNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-11-7-6-10(13)8-4-2-3-5-9(8)12(14)15/h2-7,11H,1H3.
What are the key properties of 3-(methylamino)-1-(2-nitrophenyl)prop-2-en-1-one?
3-(methylamino)-1-(2-nitrophenyl)prop-2-en-1-one has a molecular weight of 206.20 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-(2-nitrophenyl)prop-2-en-1-one is sourced from PubChem (CID 75609461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).