but-1-ene;N-methylprop-2-enamide;urea

C9H19N3O2 — CID 174740802

IUPACbut-1-ene;N-methylprop-2-enamide;urea
SMILESC=CC(=O)NC.C=CCC.NC(N)=O
InChIInChI=1S/C4H7NO.C4H8.CH4N2O/c1-3-4(6)5-2;1-3-4-2;2-1(3)4/h3H,1H2,2H3,(H,5,6);3H,1,4H2,2H3;(H4,2,3,4)
InChIKeyMXPLUUPXQQNTRU-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.52
Rot. Bonds2

About but-1-ene;N-methylprop-2-enamide;urea

but-1-ene;N-methylprop-2-enamide;urea (PubChem CID 174740802) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is but-1-ene;N-methylprop-2-enamide;urea.

Molecular Properties

Compound Namebut-1-ene;N-methylprop-2-enamide;urea
PubChem CID174740802
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Namebut-1-ene;N-methylprop-2-enamide;urea
SMILESC=CC(=O)NC.C=CCC.NC(N)=O
InChIInChI=1S/C4H7NO.C4H8.CH4N2O/c1-3-4(6)5-2;1-3-4-2;2-1(3)4/h3H,1H2,2H3,(H,5,6);3H,1,4H2,2H3;(H4,2,3,4)
InChIKeyMXPLUUPXQQNTRU-UHFFFAOYSA-N
XLogP0.52
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze but-1-ene;N-methylprop-2-enamide;urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

but-1-ene;N-methylprop-2-enamide
CID 159446883
N-methylprop-2-enamide;prop-2-en-1-amine;hydrochloride
CID 174712757
but-1-ene;urea
CID 87757370
acetic acid;guanidine;N-methylprop-2-enamide
CID 174639401
methanol;bis(N-methylprop-2-enamide)
CID 175170531
N,N-dimethylethanamine;N-methylprop-2-enamide;hydrochloride
CID 174733111
diethylalumanylium;N-methylprop-2-enamide;chloride
CID 175303125
2-hydroxyacetic acid;N-methylprop-2-enamide
CID 87472265
methylphosphonic acid;N-methylprop-2-enamide
CID 160712581
but-1-ene;carbamoylurea
CID 174833277
N-ethylprop-2-enamide;N-methylprop-2-enamide;2-methylprop-1-ene
CID 91512805
ethylideneurea;N-methylprop-2-enamide
CID 159487096

Frequently Asked Questions

What is the IUPAC name of but-1-ene;N-methylprop-2-enamide;urea?
The IUPAC name of but-1-ene;N-methylprop-2-enamide;urea (CID 174740802) is but-1-ene;N-methylprop-2-enamide;urea.
What is the SMILES notation for but-1-ene;N-methylprop-2-enamide;urea?
The canonical SMILES for but-1-ene;N-methylprop-2-enamide;urea is C=CC(=O)NC.C=CCC.NC(N)=O.
What is the InChIKey of but-1-ene;N-methylprop-2-enamide;urea?
The InChIKey is MXPLUUPXQQNTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.C4H8.CH4N2O/c1-3-4(6)5-2;1-3-4-2;2-1(3)4/h3H,1H2,2H3,(H,5,6);3H,1,4H2,2H3;(H4,2,3,4).
What are the key properties of but-1-ene;N-methylprop-2-enamide;urea?
but-1-ene;N-methylprop-2-enamide;urea has a molecular weight of 201.27 g/mol, XLogP of 0.52, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;N-methylprop-2-enamide;urea is sourced from PubChem (CID 174740802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).