1-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]urea

C7H14N2O2 — CID 131248592

IUPAC1-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]urea
SMILESC/C=C/OCCNC(=O)NC
InChIInChI=1S/C7H14N2O2/c1-3-5-11-6-4-9-7(10)8-2/h3,5H,4,6H2,1-2H3,(H2,8,9,10)/b5-3+
InChIKeyJHHDZQGHGSGZRQ-HWKANZROSA-N
MW158.20 g/mol
LogP0.47
Rot. Bonds4

About 1-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]urea

1-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]urea (PubChem CID 131248592) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]urea.

Molecular Properties

Compound Name1-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]urea
PubChem CID131248592
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name1-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]urea
SMILESC/C=C/OCCNC(=O)NC
InChIInChI=1S/C7H14N2O2/c1-3-5-11-6-4-9-7(10)8-2/h3,5H,4,6H2,1-2H3,(H2,8,9,10)/b5-3+
InChIKeyJHHDZQGHGSGZRQ-HWKANZROSA-N
XLogP0.47
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]urea?
The IUPAC name of 1-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]urea (CID 131248592) is 1-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]urea.
What is the SMILES notation for 1-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]urea?
The canonical SMILES for 1-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]urea is C/C=C/OCCNC(=O)NC.
What is the InChIKey of 1-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]urea?
The InChIKey is JHHDZQGHGSGZRQ-HWKANZROSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-3-5-11-6-4-9-7(10)8-2/h3,5H,4,6H2,1-2H3,(H2,8,9,10)/b5-3+.
What are the key properties of 1-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]urea?
1-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]urea has a molecular weight of 158.20 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]urea is sourced from PubChem (CID 131248592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).