3-methylbut-1-ene;urea

C6H14N2O — CID 19798125

IUPAC3-methylbut-1-ene;urea
SMILESC=CC(C)C.NC(N)=O
InChIInChI=1S/C5H10.CH4N2O/c1-4-5(2)3;2-1(3)4/h4-5H,1H2,2-3H3;(H4,2,3,4)
InChIKeyMGVOQGLGGIGSTC-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.85
Rot. Bonds1

About 3-methylbut-1-ene;urea

3-methylbut-1-ene;urea (PubChem CID 19798125) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is 3-methylbut-1-ene;urea.

Molecular Properties

Compound Name3-methylbut-1-ene;urea
PubChem CID19798125
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name3-methylbut-1-ene;urea
SMILESC=CC(C)C.NC(N)=O
InChIInChI=1S/C5H10.CH4N2O/c1-4-5(2)3;2-1(3)4/h4-5H,1H2,2-3H3;(H4,2,3,4)
InChIKeyMGVOQGLGGIGSTC-UHFFFAOYSA-N
XLogP0.85
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methylbut-1-ene;urea?
The IUPAC name of 3-methylbut-1-ene;urea (CID 19798125) is 3-methylbut-1-ene;urea.
What is the SMILES notation for 3-methylbut-1-ene;urea?
The canonical SMILES for 3-methylbut-1-ene;urea is C=CC(C)C.NC(N)=O.
What is the InChIKey of 3-methylbut-1-ene;urea?
The InChIKey is MGVOQGLGGIGSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10.CH4N2O/c1-4-5(2)3;2-1(3)4/h4-5H,1H2,2-3H3;(H4,2,3,4).
What are the key properties of 3-methylbut-1-ene;urea?
3-methylbut-1-ene;urea has a molecular weight of 130.19 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbut-1-ene;urea is sourced from PubChem (CID 19798125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).