1-cyclopropyl-2-(2-nitrophenyl)ethanone

C11H11NO3 — CID 61055692

IUPAC1-cyclopropyl-2-(2-nitrophenyl)ethanone
SMILESO=C(Cc1ccccc1[N+](=O)[O-])C1CC1
InChIInChI=1S/C11H11NO3/c13-11(8-5-6-8)7-9-3-1-2-4-10(9)12(14)15/h1-4,8H,5-7H2
InChIKeyJNRZUKPLNJZWNF-UHFFFAOYSA-N
MW205.21 g/mol
LogP2.12
Rot. Bonds4

About 1-cyclopropyl-2-(2-nitrophenyl)ethanone

1-cyclopropyl-2-(2-nitrophenyl)ethanone (PubChem CID 61055692) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 1-cyclopropyl-2-(2-nitrophenyl)ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-(2-nitrophenyl)ethanone
PubChem CID61055692
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name1-cyclopropyl-2-(2-nitrophenyl)ethanone
SMILESO=C(Cc1ccccc1[N+](=O)[O-])C1CC1
InChIInChI=1S/C11H11NO3/c13-11(8-5-6-8)7-9-3-1-2-4-10(9)12(14)15/h1-4,8H,5-7H2
InChIKeyJNRZUKPLNJZWNF-UHFFFAOYSA-N
XLogP2.12
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 52.12
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-2-(5-nitroquinolin-8-yl)ethanone
CID 63355452
4-[[(2-nitrophenyl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 5057635
4-[2-(2-nitrophenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 63064027
[3-(2-nitrophenyl)-2-oxopropyl]azanium
CID 143919677
2-(2-nitrophenyl)-1-phenylethanone
CID 2754368
1,2-bis(2-nitrophenyl)ethanone
CID 2750227
2-(2-nitrophenyl)-N-oxoacetamide
CID 174738474
(2-nitrophenyl)methanol
CID 11923
1-[(2-nitrophenyl)methyl]piperidine-4-carboxylic acid
CID 3450780
1-[2-(hydroxymethyl)piperidin-1-yl]-2-(2-nitrophenyl)ethanone
CID 43421559
fluoro 2-(2-nitrophenyl)acetate
CID 174655979
methyl 2-(2-nitrophenyl)acetate
CID 520464

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(2-nitrophenyl)ethanone?
The IUPAC name of 1-cyclopropyl-2-(2-nitrophenyl)ethanone (CID 61055692) is 1-cyclopropyl-2-(2-nitrophenyl)ethanone.
What is the SMILES notation for 1-cyclopropyl-2-(2-nitrophenyl)ethanone?
The canonical SMILES for 1-cyclopropyl-2-(2-nitrophenyl)ethanone is O=C(Cc1ccccc1[N+](=O)[O-])C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(2-nitrophenyl)ethanone?
The InChIKey is JNRZUKPLNJZWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c13-11(8-5-6-8)7-9-3-1-2-4-10(9)12(14)15/h1-4,8H,5-7H2.
What are the key properties of 1-cyclopropyl-2-(2-nitrophenyl)ethanone?
1-cyclopropyl-2-(2-nitrophenyl)ethanone has a molecular weight of 205.21 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(2-nitrophenyl)ethanone is sourced from PubChem (CID 61055692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).