1-(2-cyanoethyl)-3-methoxyurea

C5H9N3O2 — CID 130650869

IUPAC1-(2-cyanoethyl)-3-methoxyurea
SMILESCONC(=O)NCCC#N
InChIInChI=1S/C5H9N3O2/c1-10-8-5(9)7-4-2-3-6/h2,4H2,1H3,(H2,7,8,9)
InChIKeyJXMMZWAKURDOAV-UHFFFAOYSA-N
MW143.15 g/mol
LogP-0.24
Rot. Bonds3

About 1-(2-cyanoethyl)-3-methoxyurea

1-(2-cyanoethyl)-3-methoxyurea (PubChem CID 130650869) has the molecular formula C5H9N3O2 and a molecular weight of 143.15 g/mol. Its IUPAC name is 1-(2-cyanoethyl)-3-methoxyurea.

Molecular Properties

Compound Name1-(2-cyanoethyl)-3-methoxyurea
PubChem CID130650869
Molecular FormulaC5H9N3O2
Molecular Weight143.15 g/mol
Exact Mass143.07
IUPAC Name1-(2-cyanoethyl)-3-methoxyurea
SMILESCONC(=O)NCCC#N
InChIInChI=1S/C5H9N3O2/c1-10-8-5(9)7-4-2-3-6/h2,4H2,1H3,(H2,7,8,9)
InChIKeyJXMMZWAKURDOAV-UHFFFAOYSA-N
XLogP-0.24
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-cyanoethyl)-3-ethylurea
CID 60971056
N-(2-cyanoethyl)-2-methoxyacetamide
CID 60668880
1-acetamido-3-(2-cyanoethyl)urea
CID 130643239
1-(2-cyanoethyl)-3-propan-2-ylurea
CID 60971212
2-amino-N-(2-cyanoethyl)-4-methylpentanamide
CID 43364126
methyl 2-cyano-3,3-bis(2-cyanoethylamino)prop-2-enoate
CID 134987352
1-methoxy-3-(2-methylsulfinylethyl)urea
CID 131206804
1-(2-cyanoethyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108902041
2-cyanoethylcarbamoyl 2-propylpentanoate
CID 91552443
1-(2-cyanoethyl)-3-(4,4-dimethylpent-2-ynyl)urea
CID 58790343
N-(2-cyanoethyl)butanamide
CID 14899794
(2S)-N-(2-cyanoethyl)-2-(methylamino)propanamide
CID 94522697

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanoethyl)-3-methoxyurea?
The IUPAC name of 1-(2-cyanoethyl)-3-methoxyurea (CID 130650869) is 1-(2-cyanoethyl)-3-methoxyurea.
What is the SMILES notation for 1-(2-cyanoethyl)-3-methoxyurea?
The canonical SMILES for 1-(2-cyanoethyl)-3-methoxyurea is CONC(=O)NCCC#N.
What is the InChIKey of 1-(2-cyanoethyl)-3-methoxyurea?
The InChIKey is JXMMZWAKURDOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2/c1-10-8-5(9)7-4-2-3-6/h2,4H2,1H3,(H2,7,8,9).
What are the key properties of 1-(2-cyanoethyl)-3-methoxyurea?
1-(2-cyanoethyl)-3-methoxyurea has a molecular weight of 143.15 g/mol, XLogP of -0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanoethyl)-3-methoxyurea is sourced from PubChem (CID 130650869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).