1-(ethoxymethyl)-1-ethynylurea

C6H10N2O2 — CID 175486452

IUPAC1-(ethoxymethyl)-1-ethynylurea
SMILESC#CN(COCC)C(N)=O
InChIInChI=1S/C6H10N2O2/c1-3-8(6(7)9)5-10-4-2/h1H,4-5H2,2H3,(H2,7,9)
InChIKeyRLKPFNZKLCCLHK-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.05
Rot. Bonds3

About 1-(ethoxymethyl)-1-ethynylurea

1-(ethoxymethyl)-1-ethynylurea (PubChem CID 175486452) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 1-(ethoxymethyl)-1-ethynylurea.

Molecular Properties

Compound Name1-(ethoxymethyl)-1-ethynylurea
PubChem CID175486452
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name1-(ethoxymethyl)-1-ethynylurea
SMILESC#CN(COCC)C(N)=O
InChIInChI=1S/C6H10N2O2/c1-3-8(6(7)9)5-10-4-2/h1H,4-5H2,2H3,(H2,7,9)
InChIKeyRLKPFNZKLCCLHK-UHFFFAOYSA-N
XLogP-0.05
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

ethoxyethane;methyl carbamate
CID 18755981
1-ethynyl-1-(triethoxymethyl)urea
CID 175486444
1-(diethoxymethyl)-1-ethynylurea
CID 175486448
CID 173388727
CID 173388727
2-ethoxy-N-ethyl-N-prop-2-ynylacetamide
CID 78970728
ethyl carbamate
CID 21202847
ethyl carbamate
CID 158786750
ethyl carbamate
CID 161409576
boric acid;ethyl carbamate
CID 161179489
N-(ethoxymethyl)-N-hydroxypropanamide
CID 126575746
prop-2-ynyl 2-ethoxyacetate
CID 14897387
ethyl carbamate;platinum
CID 174699937

Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethyl)-1-ethynylurea?
The IUPAC name of 1-(ethoxymethyl)-1-ethynylurea (CID 175486452) is 1-(ethoxymethyl)-1-ethynylurea.
What is the SMILES notation for 1-(ethoxymethyl)-1-ethynylurea?
The canonical SMILES for 1-(ethoxymethyl)-1-ethynylurea is C#CN(COCC)C(N)=O.
What is the InChIKey of 1-(ethoxymethyl)-1-ethynylurea?
The InChIKey is RLKPFNZKLCCLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-3-8(6(7)9)5-10-4-2/h1H,4-5H2,2H3,(H2,7,9).
What are the key properties of 1-(ethoxymethyl)-1-ethynylurea?
1-(ethoxymethyl)-1-ethynylurea has a molecular weight of 142.16 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)-1-ethynylurea is sourced from PubChem (CID 175486452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).