1-(2-nitrophenyl)-3-propylurea

C10H13N3O3 — CID 31682023

IUPAC1-(2-nitrophenyl)-3-propylurea
SMILESCCCNC(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H13N3O3/c1-2-7-11-10(14)12-8-5-3-4-6-9(8)13(15)16/h3-6H,2,7H2,1H3,(H2,11,12,14)
InChIKeyWYWRYBUBAURGDX-UHFFFAOYSA-N
MW223.23 g/mol
LogP2.13
Rot. Bonds4

About 1-(2-nitrophenyl)-3-propylurea

1-(2-nitrophenyl)-3-propylurea (PubChem CID 31682023) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 1-(2-nitrophenyl)-3-propylurea.

Molecular Properties

Compound Name1-(2-nitrophenyl)-3-propylurea
PubChem CID31682023
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name1-(2-nitrophenyl)-3-propylurea
SMILESCCCNC(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H13N3O3/c1-2-7-11-10(14)12-8-5-3-4-6-9(8)13(15)16/h3-6H,2,7H2,1H3,(H2,11,12,14)
InChIKeyWYWRYBUBAURGDX-UHFFFAOYSA-N
XLogP2.13
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 52.13
H-Bond Donors ≤ 52
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

2-(2-nitroanilino)-N-propylacetamide
CID 43398638
8-[(2-nitrophenyl)carbamoylamino]octanoic acid
CID 15858542
1-(2-nitrophenyl)-3-propoxyurea
CID 5118634
1-(2-nitrophenyl)-3-(3-phenoxypropyl)urea
CID 108883021
methyl-[(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl]-[2-oxo-2-(propylamino)ethyl]azanium
CID 9302700
1-(4,5-dimethyl-2-nitrophenyl)-3-propylurea
CID 113218271
1-ethoxy-3-(2-nitrophenyl)urea
CID 5118633
1-[(2-ethylphenoxy)methyl]-3-(2-nitrophenyl)urea
CID 108893161
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
1-methoxy-3-(2-nitrophenyl)urea
CID 5118632
1-(2-nitrophenyl)-3-phenylurea
CID 4109613
1-butyl-3-(5-methyl-2-nitrophenyl)urea
CID 116657565

Frequently Asked Questions

What is the IUPAC name of 1-(2-nitrophenyl)-3-propylurea?
The IUPAC name of 1-(2-nitrophenyl)-3-propylurea (CID 31682023) is 1-(2-nitrophenyl)-3-propylurea.
What is the SMILES notation for 1-(2-nitrophenyl)-3-propylurea?
The canonical SMILES for 1-(2-nitrophenyl)-3-propylurea is CCCNC(=O)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 1-(2-nitrophenyl)-3-propylurea?
The InChIKey is WYWRYBUBAURGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-2-7-11-10(14)12-8-5-3-4-6-9(8)13(15)16/h3-6H,2,7H2,1H3,(H2,11,12,14).
What are the key properties of 1-(2-nitrophenyl)-3-propylurea?
1-(2-nitrophenyl)-3-propylurea has a molecular weight of 223.23 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitrophenyl)-3-propylurea is sourced from PubChem (CID 31682023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).