3-(4-nitrophenyl)imidazolidine-4-carbaldehyde

C10H11N3O3 — CID 174351316

IUPAC3-(4-nitrophenyl)imidazolidine-4-carbaldehyde
SMILESO=CC1CNCN1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H11N3O3/c14-6-10-5-11-7-12(10)8-1-3-9(4-2-8)13(15)16/h1-4,6,10-11H,5,7H2
InChIKeySAHOLVOOXMNALP-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.53
Rot. Bonds3

About 3-(4-nitrophenyl)imidazolidine-4-carbaldehyde

3-(4-nitrophenyl)imidazolidine-4-carbaldehyde (PubChem CID 174351316) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 3-(4-nitrophenyl)imidazolidine-4-carbaldehyde.

Molecular Properties

Compound Name3-(4-nitrophenyl)imidazolidine-4-carbaldehyde
PubChem CID174351316
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name3-(4-nitrophenyl)imidazolidine-4-carbaldehyde
SMILESO=CC1CNCN1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H11N3O3/c14-6-10-5-11-7-12(10)8-1-3-9(4-2-8)13(15)16/h1-4,6,10-11H,5,7H2
InChIKeySAHOLVOOXMNALP-UHFFFAOYSA-N
XLogP0.53
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-(4-nitrophenyl)-2-azabicyclo[2.2.1]heptane
CID 123155106
1,4-bis(4-nitrophenyl)-2,5-diphenylpiperazine
CID 101127745
7-(4-nitrophenyl)-7-azabicyclo[4.1.0]heptane
CID 15469334
4,4-dimethyl-5-(4-nitrophenyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66244649
8-[(4-nitrophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane
CID 70436080
(2S)-2-[(4-nitrophenyl)methyl]aziridine
CID 89033647
1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,2-b]pyrrole;4-(4-nitrophenyl)-2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrole
CID 69377874
[4-methyl-1-(4-nitrophenyl)piperazin-2-yl]methanol
CID 155147218
5-ethyl-3-(4-nitrophenyl)-1,3-diazinane-2,4-dione
CID 65222260
2-methoxy-1-(4-nitrophenyl)pyrrolidine
CID 90244532
methyl 1-(4-nitrophenyl)aziridine-2-carboxylate
CID 11368029
1-[1-(4-nitrophenyl)azetidin-3-yl]piperazine
CID 66195237

Frequently Asked Questions

What is the IUPAC name of 3-(4-nitrophenyl)imidazolidine-4-carbaldehyde?
The IUPAC name of 3-(4-nitrophenyl)imidazolidine-4-carbaldehyde (CID 174351316) is 3-(4-nitrophenyl)imidazolidine-4-carbaldehyde.
What is the SMILES notation for 3-(4-nitrophenyl)imidazolidine-4-carbaldehyde?
The canonical SMILES for 3-(4-nitrophenyl)imidazolidine-4-carbaldehyde is O=CC1CNCN1c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3-(4-nitrophenyl)imidazolidine-4-carbaldehyde?
The InChIKey is SAHOLVOOXMNALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c14-6-10-5-11-7-12(10)8-1-3-9(4-2-8)13(15)16/h1-4,6,10-11H,5,7H2.
What are the key properties of 3-(4-nitrophenyl)imidazolidine-4-carbaldehyde?
3-(4-nitrophenyl)imidazolidine-4-carbaldehyde has a molecular weight of 221.22 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-nitrophenyl)imidazolidine-4-carbaldehyde is sourced from PubChem (CID 174351316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).