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

C11H13N3O4 — CID 108887567

IUPAC1-cyclopropyl-3-(2-methoxy-4-nitrophenyl)urea
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)NC1CC1
InChIInChI=1S/C11H13N3O4/c1-18-10-6-8(14(16)17)4-5-9(10)13-11(15)12-7-2-3-7/h4-7H,2-3H2,1H3,(H2,12,13,15)
InChIKeyURZSAFDHPWASSE-UHFFFAOYSA-N
MW251.24 g/mol
LogP1.89
Rot. Bonds4

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

1-cyclopropyl-3-(2-methoxy-4-nitrophenyl)urea (PubChem CID 108887567) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2-methoxy-4-nitrophenyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(2-methoxy-4-nitrophenyl)urea
PubChem CID108887567
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name1-cyclopropyl-3-(2-methoxy-4-nitrophenyl)urea
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)NC1CC1
InChIInChI=1S/C11H13N3O4/c1-18-10-6-8(14(16)17)4-5-9(10)13-11(15)12-7-2-3-7/h4-7H,2-3H2,1H3,(H2,12,13,15)
InChIKeyURZSAFDHPWASSE-UHFFFAOYSA-N
XLogP1.89
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-methoxy-4-nitrophenyl)-3-(oxolan-3-yl)urea
CID 116655695
1-cyclopropyl-3-(2-hydroxy-4-nitrophenyl)urea
CID 107745859
1-(2-chloro-4-nitrophenyl)-3-cyclopropylurea
CID 47196003
1-ethyl-3-(2-methoxy-4-nitrophenyl)urea
CID 108890439
N-cyclopropyl-2-methoxy-5-nitrobenzamide
CID 9210144
1-[(E)-2-cyclopentylethenyl]-3-(2-methoxy-4-nitrophenyl)urea
CID 108911715
N-cyclopropyl-2-[(Z)-[2-(2-methoxy-4-nitroanilino)-2-oxoethylidene]amino]oxyacetamide
CID 7667368
1-(2-methoxy-4-nitrophenyl)-3-(2-sulfanylphenyl)urea
CID 108886341
(2S)-2-[(2-methoxy-4-nitrophenyl)carbamoylamino]propanoic acid
CID 62881546
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-4-nitrophenyl)urea
CID 108875488
1-(4-methoxy-2-methylphenyl)-3-(2-methoxy-4-nitrophenyl)urea
CID 17381058
N-(2-methoxy-4-nitrophenyl)pyrrolidine-3-carboxamide
CID 63007363

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2-methoxy-4-nitrophenyl)urea?
The IUPAC name of 1-cyclopropyl-3-(2-methoxy-4-nitrophenyl)urea (CID 108887567) is 1-cyclopropyl-3-(2-methoxy-4-nitrophenyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-(2-methoxy-4-nitrophenyl)urea?
The canonical SMILES for 1-cyclopropyl-3-(2-methoxy-4-nitrophenyl)urea is COc1cc([N+](=O)[O-])ccc1NC(=O)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-(2-methoxy-4-nitrophenyl)urea?
The InChIKey is URZSAFDHPWASSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c1-18-10-6-8(14(16)17)4-5-9(10)13-11(15)12-7-2-3-7/h4-7H,2-3H2,1H3,(H2,12,13,15).
What are the key properties of 1-cyclopropyl-3-(2-methoxy-4-nitrophenyl)urea?
1-cyclopropyl-3-(2-methoxy-4-nitrophenyl)urea has a molecular weight of 251.24 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2-methoxy-4-nitrophenyl)urea is sourced from PubChem (CID 108887567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).