1-[(E)-3,3-dimethylbut-1-enyl]-3-(2-methoxyethyl)urea

C10H20N2O2 — CID 108911290

IUPAC1-[(E)-3,3-dimethylbut-1-enyl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)N/C=C/C(C)(C)C
InChIInChI=1S/C10H20N2O2/c1-10(2,3)5-6-11-9(13)12-7-8-14-4/h5-6H,7-8H2,1-4H3,(H2,11,12,13)/b6-5+
InChIKeyABSSGHSYFIHRNA-AATRIKPKSA-N
MW200.28 g/mol
LogP1.49
Rot. Bonds4

About 1-[(E)-3,3-dimethylbut-1-enyl]-3-(2-methoxyethyl)urea

1-[(E)-3,3-dimethylbut-1-enyl]-3-(2-methoxyethyl)urea (PubChem CID 108911290) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-[(E)-3,3-dimethylbut-1-enyl]-3-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-[(E)-3,3-dimethylbut-1-enyl]-3-(2-methoxyethyl)urea
PubChem CID108911290
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-[(E)-3,3-dimethylbut-1-enyl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)N/C=C/C(C)(C)C
InChIInChI=1S/C10H20N2O2/c1-10(2,3)5-6-11-9(13)12-7-8-14-4/h5-6H,7-8H2,1-4H3,(H2,11,12,13)/b6-5+
InChIKeyABSSGHSYFIHRNA-AATRIKPKSA-N
XLogP1.49
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3,3-dimethylbut-1-enyl]-3-(2-methoxyethyl)urea?
The IUPAC name of 1-[(E)-3,3-dimethylbut-1-enyl]-3-(2-methoxyethyl)urea (CID 108911290) is 1-[(E)-3,3-dimethylbut-1-enyl]-3-(2-methoxyethyl)urea.
What is the SMILES notation for 1-[(E)-3,3-dimethylbut-1-enyl]-3-(2-methoxyethyl)urea?
The canonical SMILES for 1-[(E)-3,3-dimethylbut-1-enyl]-3-(2-methoxyethyl)urea is COCCNC(=O)N/C=C/C(C)(C)C.
What is the InChIKey of 1-[(E)-3,3-dimethylbut-1-enyl]-3-(2-methoxyethyl)urea?
The InChIKey is ABSSGHSYFIHRNA-AATRIKPKSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(2,3)5-6-11-9(13)12-7-8-14-4/h5-6H,7-8H2,1-4H3,(H2,11,12,13)/b6-5+.
What are the key properties of 1-[(E)-3,3-dimethylbut-1-enyl]-3-(2-methoxyethyl)urea?
1-[(E)-3,3-dimethylbut-1-enyl]-3-(2-methoxyethyl)urea has a molecular weight of 200.28 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3,3-dimethylbut-1-enyl]-3-(2-methoxyethyl)urea is sourced from PubChem (CID 108911290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).