1-(2-nitrophenyl)cyclopropan-1-amine

C9H10N2O2 — CID 55253196

IUPAC1-(2-nitrophenyl)cyclopropan-1-amine
SMILESNC1(c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C9H10N2O2/c10-9(5-6-9)7-3-1-2-4-8(7)11(12)13/h1-4H,5-6,10H2
InChIKeyZCYDXTRIRKXKFB-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.54
Rot. Bonds2

About 1-(2-nitrophenyl)cyclopropan-1-amine

1-(2-nitrophenyl)cyclopropan-1-amine (PubChem CID 55253196) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 1-(2-nitrophenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(2-nitrophenyl)cyclopropan-1-amine
PubChem CID55253196
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name1-(2-nitrophenyl)cyclopropan-1-amine
SMILESNC1(c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C9H10N2O2/c10-9(5-6-9)7-3-1-2-4-8(7)11(12)13/h1-4H,5-6,10H2
InChIKeyZCYDXTRIRKXKFB-UHFFFAOYSA-N
XLogP1.54
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.54
H-Bond Donors ≤ 51
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-(5-methyl-2-nitrophenyl)cyclopropan-1-amine
CID 130545851
[1-(2-nitrophenyl)cyclopropyl]methanamine
CID 55253012
1-(5-fluoro-2-nitrophenyl)cyclopropan-1-amine
CID 130160401
1-(5-chloro-2-nitrophenyl)cyclopropan-1-amine
CID 130545850
1-(2-nitrophenyl)cyclopropane-1-carbaldehyde
CID 10888753
9-methyl-9-(2-nitrophenyl)fluorene
CID 129293080
1-[5-(2-nitrophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine
CID 65459808
azanide;1,2-dinitrobenzene;platinum
CID 158959684
1-[2-(2-nitrophenyl)ethyl]cyclopentan-1-amine
CID 65020410
[4-[4-hydrazinyl-4-(2-nitrophenyl)cyclohexa-2,5-dien-1-yl]sulfonyl-1-(2-nitrophenyl)cyclohexa-2,5-dien-1-yl]hydrazine
CID 22216268
1-[(2-fluoro-3-nitrophenyl)methyl]-2,3-dihydroinden-1-amine
CID 107353722
2-nitroaniline;sulfane
CID 175331446

Frequently Asked Questions

What is the IUPAC name of 1-(2-nitrophenyl)cyclopropan-1-amine?
The IUPAC name of 1-(2-nitrophenyl)cyclopropan-1-amine (CID 55253196) is 1-(2-nitrophenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(2-nitrophenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(2-nitrophenyl)cyclopropan-1-amine is NC1(c2ccccc2[N+](=O)[O-])CC1.
What is the InChIKey of 1-(2-nitrophenyl)cyclopropan-1-amine?
The InChIKey is ZCYDXTRIRKXKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c10-9(5-6-9)7-3-1-2-4-8(7)11(12)13/h1-4H,5-6,10H2.
What are the key properties of 1-(2-nitrophenyl)cyclopropan-1-amine?
1-(2-nitrophenyl)cyclopropan-1-amine has a molecular weight of 178.19 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitrophenyl)cyclopropan-1-amine is sourced from PubChem (CID 55253196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).