1-[(E)-2-cyclopentylethenyl]-3-(2-methoxy-4-nitrophenyl)urea

C15H19N3O4 — CID 108911715

IUPAC1-[(E)-2-cyclopentylethenyl]-3-(2-methoxy-4-nitrophenyl)urea
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)N/C=C/C1CCCC1
InChIInChI=1S/C15H19N3O4/c1-22-14-10-12(18(20)21)6-7-13(14)17-15(19)16-9-8-11-4-2-3-5-11/h6-11H,2-5H2,1H3,(H2,16,17,19)/b9-8+
InChIKeyDZVAKRZJMMGUDL-CMDGGOBGSA-N
MW305.33 g/mol
LogP3.43
Rot. Bonds5

About 1-[(E)-2-cyclopentylethenyl]-3-(2-methoxy-4-nitrophenyl)urea

1-[(E)-2-cyclopentylethenyl]-3-(2-methoxy-4-nitrophenyl)urea (PubChem CID 108911715) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 1-[(E)-2-cyclopentylethenyl]-3-(2-methoxy-4-nitrophenyl)urea.

Molecular Properties

Compound Name1-[(E)-2-cyclopentylethenyl]-3-(2-methoxy-4-nitrophenyl)urea
PubChem CID108911715
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name1-[(E)-2-cyclopentylethenyl]-3-(2-methoxy-4-nitrophenyl)urea
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)N/C=C/C1CCCC1
InChIInChI=1S/C15H19N3O4/c1-22-14-10-12(18(20)21)6-7-13(14)17-15(19)16-9-8-11-4-2-3-5-11/h6-11H,2-5H2,1H3,(H2,16,17,19)/b9-8+
InChIKeyDZVAKRZJMMGUDL-CMDGGOBGSA-N
XLogP3.43
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.43
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-[(E)-2-cyclopropylethenyl]-3-(2-methoxy-5-nitrophenyl)urea
CID 108915958
1-[(E)-2-cyclohexylethenyl]-3-(2,4-dimethoxyphenyl)urea
CID 108912165
1-(2-methoxy-4-nitrophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108903913
1-cyclopropyl-3-(2-methoxy-4-nitrophenyl)urea
CID 108887567
1-[(E)-2-cyclohexylethenyl]-3-(2,5-dimethoxyphenyl)urea
CID 108912082
1-ethyl-3-(2-methoxy-4-nitrophenyl)urea
CID 108890439
1-(2-methoxy-4-nitrophenyl)-3-(oxolan-3-yl)urea
CID 116655695
1-[(E)-2-cyclopropylethenyl]-3-(4-nitrophenyl)urea
CID 108915764
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(E)-2-cyclohexylethenyl]urea
CID 108912284
1-(2-methoxy-4-nitrophenyl)-3-(2-sulfanylphenyl)urea
CID 108886341
1-(4-methoxy-2-methylphenyl)-3-(2-methoxy-4-nitrophenyl)urea
CID 17381058
(2S)-2-[(2-methoxy-4-nitrophenyl)carbamoylamino]propanoic acid
CID 62881546

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-cyclopentylethenyl]-3-(2-methoxy-4-nitrophenyl)urea?
The IUPAC name of 1-[(E)-2-cyclopentylethenyl]-3-(2-methoxy-4-nitrophenyl)urea (CID 108911715) is 1-[(E)-2-cyclopentylethenyl]-3-(2-methoxy-4-nitrophenyl)urea.
What is the SMILES notation for 1-[(E)-2-cyclopentylethenyl]-3-(2-methoxy-4-nitrophenyl)urea?
The canonical SMILES for 1-[(E)-2-cyclopentylethenyl]-3-(2-methoxy-4-nitrophenyl)urea is COc1cc([N+](=O)[O-])ccc1NC(=O)N/C=C/C1CCCC1.
What is the InChIKey of 1-[(E)-2-cyclopentylethenyl]-3-(2-methoxy-4-nitrophenyl)urea?
The InChIKey is DZVAKRZJMMGUDL-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-22-14-10-12(18(20)21)6-7-13(14)17-15(19)16-9-8-11-4-2-3-5-11/h6-11H,2-5H2,1H3,(H2,16,17,19)/b9-8+.
What are the key properties of 1-[(E)-2-cyclopentylethenyl]-3-(2-methoxy-4-nitrophenyl)urea?
1-[(E)-2-cyclopentylethenyl]-3-(2-methoxy-4-nitrophenyl)urea has a molecular weight of 305.33 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-cyclopentylethenyl]-3-(2-methoxy-4-nitrophenyl)urea is sourced from PubChem (CID 108911715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).