N-[1-(hydroxymethyl)cyclopropyl]-2-(2-nitrophenyl)acetamide

C12H14N2O4 — CID 115764632

IUPACN-[1-(hydroxymethyl)cyclopropyl]-2-(2-nitrophenyl)acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])NC1(CO)CC1
InChIInChI=1S/C12H14N2O4/c15-8-12(5-6-12)13-11(16)7-9-3-1-2-4-10(9)14(17)18/h1-4,15H,5-8H2,(H,13,16)
InChIKeyHHXANJTYICTMII-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.78
Rot. Bonds5

About N-[1-(hydroxymethyl)cyclopropyl]-2-(2-nitrophenyl)acetamide

N-[1-(hydroxymethyl)cyclopropyl]-2-(2-nitrophenyl)acetamide (PubChem CID 115764632) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopropyl]-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopropyl]-2-(2-nitrophenyl)acetamide
PubChem CID115764632
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC NameN-[1-(hydroxymethyl)cyclopropyl]-2-(2-nitrophenyl)acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])NC1(CO)CC1
InChIInChI=1S/C12H14N2O4/c15-8-12(5-6-12)13-11(16)7-9-3-1-2-4-10(9)14(17)18/h1-4,15H,5-8H2,(H,13,16)
InChIKeyHHXANJTYICTMII-UHFFFAOYSA-N
XLogP0.78
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.78
H-Bond Donors ≤ 52
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

N-[1-(hydroxymethyl)cyclohexyl]-2-(2-nitrophenyl)acetamide
CID 62521825
1-[[2-(2-nitrophenyl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81158336
[1-[(2-nitrophenyl)methylamino]cyclopentyl]methanol
CID 62524980
N-(1-adamantyl)-2-(2-nitrophenyl)acetamide
CID 27650254
1-[2-(2-nitrophenyl)ethyl]cyclopropane-1-carboxylic acid
CID 66025957
2-(2-nitrophenyl)-N-(2-phenylphenyl)acetamide
CID 888362
(2-nitrophenyl)methylcarbamic acid
CID 18621803
N-(4-anilinophenyl)-2-(2-nitrophenyl)acetamide
CID 887556
N-(1-hydroxypropan-2-yl)-2-(2-nitrophenyl)acetamide
CID 43418816
1-[2-(2-nitrophenyl)ethyl]cyclobutane-1-carboxylic acid
CID 65194906
2-(2-aminophenyl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
CID 62526209
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-(2-nitrophenyl)acetamide
CID 103602216

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopropyl]-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopropyl]-2-(2-nitrophenyl)acetamide (CID 115764632) is N-[1-(hydroxymethyl)cyclopropyl]-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopropyl]-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopropyl]-2-(2-nitrophenyl)acetamide is O=C(Cc1ccccc1[N+](=O)[O-])NC1(CO)CC1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopropyl]-2-(2-nitrophenyl)acetamide?
The InChIKey is HHXANJTYICTMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c15-8-12(5-6-12)13-11(16)7-9-3-1-2-4-10(9)14(17)18/h1-4,15H,5-8H2,(H,13,16).
What are the key properties of N-[1-(hydroxymethyl)cyclopropyl]-2-(2-nitrophenyl)acetamide?
N-[1-(hydroxymethyl)cyclopropyl]-2-(2-nitrophenyl)acetamide has a molecular weight of 250.25 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopropyl]-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 115764632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).