1-cyclopropyl-2-(3-nitrophenyl)ethanone

C11H11NO3 — CID 147564014

IUPAC1-cyclopropyl-2-(3-nitrophenyl)ethanone
SMILESO=C(Cc1cccc([N+](=O)[O-])c1)C1CC1
InChIInChI=1S/C11H11NO3/c13-11(9-4-5-9)7-8-2-1-3-10(6-8)12(14)15/h1-3,6,9H,4-5,7H2
InChIKeyFTEQXGXOZKEHQT-UHFFFAOYSA-N
MW205.21 g/mol
LogP2.12
Rot. Bonds4

About 1-cyclopropyl-2-(3-nitrophenyl)ethanone

1-cyclopropyl-2-(3-nitrophenyl)ethanone (PubChem CID 147564014) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 1-cyclopropyl-2-(3-nitrophenyl)ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-(3-nitrophenyl)ethanone
PubChem CID147564014
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name1-cyclopropyl-2-(3-nitrophenyl)ethanone
SMILESO=C(Cc1cccc([N+](=O)[O-])c1)C1CC1
InChIInChI=1S/C11H11NO3/c13-11(9-4-5-9)7-8-2-1-3-10(6-8)12(14)15/h1-3,6,9H,4-5,7H2
InChIKeyFTEQXGXOZKEHQT-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

sodium 2-(3-nitrophenyl)acetate
CID 20571503
N-(azetidin-3-yl)-2-(3-nitrophenyl)acetamide
CID 113265632
2-[cyclopropyl-[2-(3-nitrophenyl)acetyl]amino]propanoic acid
CID 119202503
N-(2-aminocyclohexyl)-2-(3-nitrophenyl)acetamide
CID 104541060
2-(3-nitrophenyl)-N-prop-2-ynylacetamide
CID 115649182
N-[2-(aminomethyl)cyclohexyl]-2-(3-nitrophenyl)acetamide
CID 115737499
4-(aminomethyl)-N-[(3-nitrophenyl)methyl]cyclohexane-1-carboxamide
CID 79519883
2-(3-nitrophenyl)-N-(piperidin-2-ylmethyl)acetamide
CID 115736889
1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(3-nitrophenyl)ethanone
CID 104541093
N-cyclopentyl-2-(3-nitrophenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 122145985
N-[2-(aminomethyl)cyclohexyl]-2-(3-nitrophenyl)acetamide;hydrochloride
CID 119610894
2-(3-nitrophenyl)-N-(pyrrolidin-3-ylmethyl)acetamide
CID 91660403

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(3-nitrophenyl)ethanone?
The IUPAC name of 1-cyclopropyl-2-(3-nitrophenyl)ethanone (CID 147564014) is 1-cyclopropyl-2-(3-nitrophenyl)ethanone.
What is the SMILES notation for 1-cyclopropyl-2-(3-nitrophenyl)ethanone?
The canonical SMILES for 1-cyclopropyl-2-(3-nitrophenyl)ethanone is O=C(Cc1cccc([N+](=O)[O-])c1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(3-nitrophenyl)ethanone?
The InChIKey is FTEQXGXOZKEHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c13-11(9-4-5-9)7-8-2-1-3-10(6-8)12(14)15/h1-3,6,9H,4-5,7H2.
What are the key properties of 1-cyclopropyl-2-(3-nitrophenyl)ethanone?
1-cyclopropyl-2-(3-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-(3-nitrophenyl)ethanone is sourced from PubChem (CID 147564014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).