1-(2-nitrophenyl)cyclopropane-1-carbaldehyde

C10H9NO3 — CID 10888753

IUPAC1-(2-nitrophenyl)cyclopropane-1-carbaldehyde
SMILESO=CC1(c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C10H9NO3/c12-7-10(5-6-10)8-3-1-2-4-9(8)11(13)14/h1-4,7H,5-6H2
InChIKeyAAVZBGODHCVOLJ-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.83
Rot. Bonds3

About 1-(2-nitrophenyl)cyclopropane-1-carbaldehyde

1-(2-nitrophenyl)cyclopropane-1-carbaldehyde (PubChem CID 10888753) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 1-(2-nitrophenyl)cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name1-(2-nitrophenyl)cyclopropane-1-carbaldehyde
PubChem CID10888753
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name1-(2-nitrophenyl)cyclopropane-1-carbaldehyde
SMILESO=CC1(c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C10H9NO3/c12-7-10(5-6-10)8-3-1-2-4-9(8)11(13)14/h1-4,7H,5-6H2
InChIKeyAAVZBGODHCVOLJ-UHFFFAOYSA-N
XLogP1.83
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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

1-(2-nitrophenyl)cyclopropan-1-amine
CID 55253196
[1-(2-nitrophenyl)cyclopropyl]methanamine
CID 55253012
9-methyl-9-(2-nitrophenyl)fluorene
CID 129293080
azanide;1,2-dinitrobenzene;platinum
CID 158959684
4-(2-aminophenyl)piperidine-4-carbaldehyde
CID 88578816
sodium 2-nitrobenzaldehyde
CID 23669302
ethane;2-nitrobenzaldehyde
CID 91029364
formamide;2-nitrophenol
CID 20538790
1-naphthalen-1-ylcyclopentane-1-carbaldehyde
CID 86726004
1,2-bis(2-nitrophenyl)ethane-1,2-dione
CID 15851155
[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
(1S,5S)-8-methyl-1-(2-nitrophenyl)-8-azabicyclo[3.2.1]octan-2-one
CID 70306149

Frequently Asked Questions

What is the IUPAC name of 1-(2-nitrophenyl)cyclopropane-1-carbaldehyde?
The IUPAC name of 1-(2-nitrophenyl)cyclopropane-1-carbaldehyde (CID 10888753) is 1-(2-nitrophenyl)cyclopropane-1-carbaldehyde.
What is the SMILES notation for 1-(2-nitrophenyl)cyclopropane-1-carbaldehyde?
The canonical SMILES for 1-(2-nitrophenyl)cyclopropane-1-carbaldehyde is O=CC1(c2ccccc2[N+](=O)[O-])CC1.
What is the InChIKey of 1-(2-nitrophenyl)cyclopropane-1-carbaldehyde?
The InChIKey is AAVZBGODHCVOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c12-7-10(5-6-10)8-3-1-2-4-9(8)11(13)14/h1-4,7H,5-6H2.
What are the key properties of 1-(2-nitrophenyl)cyclopropane-1-carbaldehyde?
1-(2-nitrophenyl)cyclopropane-1-carbaldehyde has a molecular weight of 191.19 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitrophenyl)cyclopropane-1-carbaldehyde is sourced from PubChem (CID 10888753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).