1-cyclopropyl-3-(2-hydroxy-4-nitrophenyl)urea

C10H11N3O4 — CID 107745859

IUPAC1-cyclopropyl-3-(2-hydroxy-4-nitrophenyl)urea
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1O)NC1CC1
InChIInChI=1S/C10H11N3O4/c14-9-5-7(13(16)17)3-4-8(9)12-10(15)11-6-1-2-6/h3-6,14H,1-2H2,(H2,11,12,15)
InChIKeyPNLCUTHLINLGKY-UHFFFAOYSA-N
MW237.21 g/mol
LogP1.58
Rot. Bonds3

About 1-cyclopropyl-3-(2-hydroxy-4-nitrophenyl)urea

1-cyclopropyl-3-(2-hydroxy-4-nitrophenyl)urea (PubChem CID 107745859) has the molecular formula C10H11N3O4 and a molecular weight of 237.21 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2-hydroxy-4-nitrophenyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(2-hydroxy-4-nitrophenyl)urea
PubChem CID107745859
Molecular FormulaC10H11N3O4
Molecular Weight237.21 g/mol
Exact Mass237.07
IUPAC Name1-cyclopropyl-3-(2-hydroxy-4-nitrophenyl)urea
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1O)NC1CC1
InChIInChI=1S/C10H11N3O4/c14-9-5-7(13(16)17)3-4-8(9)12-10(15)11-6-1-2-6/h3-6,14H,1-2H2,(H2,11,12,15)
InChIKeyPNLCUTHLINLGKY-UHFFFAOYSA-N
XLogP1.58
TPSA104.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', '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-chloro-4-nitrophenyl)-3-cyclopropylurea
CID 47196003
1-cyclopropyl-3-(2-methoxy-4-nitrophenyl)urea
CID 108887567
N-(2-hydroxy-4-nitrophenyl)cyclooctanecarboxamide
CID 107745413
1-[(3S)-1,1-dioxothiolan-3-yl]-3-(2-hydroxy-5-nitrophenyl)urea
CID 6598448
N-[(2-hydroxy-4-nitrophenyl)carbamoyl]-2-methylpropanamide
CID 70210043
N-(2-hydroxy-4-nitrophenyl)oxane-2-carboxamide
CID 107745486
(1R,4Z,8E,12S)-N-(2-hydroxy-4-nitrophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 7640466
(1S,4Z,8E,12R)-N-(2-hydroxy-4-nitrophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 7298998
1-amino-N-(2-hydroxy-4-nitrophenyl)cyclopropane-1-carboxamide
CID 107744191
(E)-N-(2-hydroxy-4-nitrophenyl)but-2-enamide
CID 107743856
1-(2-ethylphenyl)-3-(2-hydroxy-4-nitrophenyl)urea
CID 21184795
2-(cyclopropylamino)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 107744629

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2-hydroxy-4-nitrophenyl)urea?
The IUPAC name of 1-cyclopropyl-3-(2-hydroxy-4-nitrophenyl)urea (CID 107745859) is 1-cyclopropyl-3-(2-hydroxy-4-nitrophenyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-(2-hydroxy-4-nitrophenyl)urea?
The canonical SMILES for 1-cyclopropyl-3-(2-hydroxy-4-nitrophenyl)urea is O=C(Nc1ccc([N+](=O)[O-])cc1O)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-(2-hydroxy-4-nitrophenyl)urea?
The InChIKey is PNLCUTHLINLGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4/c14-9-5-7(13(16)17)3-4-8(9)12-10(15)11-6-1-2-6/h3-6,14H,1-2H2,(H2,11,12,15).
What are the key properties of 1-cyclopropyl-3-(2-hydroxy-4-nitrophenyl)urea?
1-cyclopropyl-3-(2-hydroxy-4-nitrophenyl)urea has a molecular weight of 237.21 g/mol, XLogP of 1.58, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2-hydroxy-4-nitrophenyl)urea is sourced from PubChem (CID 107745859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).