1-(2-but-3-enoxyethyl)-3-methylurea

C8H16N2O2 — CID 103852773

IUPAC1-(2-but-3-enoxyethyl)-3-methylurea
SMILESC=CCCOCCNC(=O)NC
InChIInChI=1S/C8H16N2O2/c1-3-4-6-12-7-5-10-8(11)9-2/h3H,1,4-7H2,2H3,(H2,9,10,11)
InChIKeyVJBFNGYAJWEDGS-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.51
Rot. Bonds6

About 1-(2-but-3-enoxyethyl)-3-methylurea

1-(2-but-3-enoxyethyl)-3-methylurea (PubChem CID 103852773) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-(2-but-3-enoxyethyl)-3-methylurea.

Molecular Properties

Compound Name1-(2-but-3-enoxyethyl)-3-methylurea
PubChem CID103852773
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name1-(2-but-3-enoxyethyl)-3-methylurea
SMILESC=CCCOCCNC(=O)NC
InChIInChI=1S/C8H16N2O2/c1-3-4-6-12-7-5-10-8(11)9-2/h3H,1,4-7H2,2H3,(H2,9,10,11)
InChIKeyVJBFNGYAJWEDGS-UHFFFAOYSA-N
XLogP0.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-but-3-enoxyethylurea
CID 103852774
N-(2-but-3-enoxyethyl)-2,2-dimethylpropanamide
CID 103855692
N-(2-but-3-enoxyethyl)-2-methyl-3-(methylamino)propanamide
CID 106398280
(2R)-2-amino-N-(2-but-3-enoxyethyl)propanamide
CID 106398122
2-[[2-(2-but-3-enoxyethylcarbamoylamino)acetyl]amino]acetic acid
CID 106404893
(E)-4-(2-but-3-enoxyethylcarbamoylamino)-4-oxobut-2-enoic acid
CID 114184077
1-hex-5-enyl-3-methylurea
CID 171623663
1-[2-(2-chloroethoxy)ethyl]-3-methylurea
CID 157271726
2-(2-but-3-enoxyethylcarbamoylamino)-2-ethylbutanoic acid
CID 106404920
2-(2-but-3-enoxyethylcarbamoylamino)-2-methylbutanoic acid
CID 106405065
1-(2-but-3-enoxyethyl)-3-cyclopentylurea
CID 103853130
2-(2-but-3-enoxyethylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid
CID 106405118

Frequently Asked Questions

What is the IUPAC name of 1-(2-but-3-enoxyethyl)-3-methylurea?
The IUPAC name of 1-(2-but-3-enoxyethyl)-3-methylurea (CID 103852773) is 1-(2-but-3-enoxyethyl)-3-methylurea.
What is the SMILES notation for 1-(2-but-3-enoxyethyl)-3-methylurea?
The canonical SMILES for 1-(2-but-3-enoxyethyl)-3-methylurea is C=CCCOCCNC(=O)NC.
What is the InChIKey of 1-(2-but-3-enoxyethyl)-3-methylurea?
The InChIKey is VJBFNGYAJWEDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-3-4-6-12-7-5-10-8(11)9-2/h3H,1,4-7H2,2H3,(H2,9,10,11).
What are the key properties of 1-(2-but-3-enoxyethyl)-3-methylurea?
1-(2-but-3-enoxyethyl)-3-methylurea has a molecular weight of 172.23 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-but-3-enoxyethyl)-3-methylurea is sourced from PubChem (CID 103852773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).