methanol;bis(N-methylprop-2-enamide)

C9H18N2O3 — CID 175170531

IUPACmethanol;bis(N-methylprop-2-enamide)
SMILESC=CC(=O)NC.C=CC(=O)NC.CO
InChIInChI=1S/2C4H7NO.CH4O/c2*1-3-4(6)5-2;1-2/h2*3H,1H2,2H3,(H,5,6);2H,1H3
InChIKeyVWZLSDABKJIYFR-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.55
Rot. Bonds2

About methanol;bis(N-methylprop-2-enamide)

methanol;bis(N-methylprop-2-enamide) (PubChem CID 175170531) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is methanol;bis(N-methylprop-2-enamide).

Molecular Properties

Compound Namemethanol;bis(N-methylprop-2-enamide)
PubChem CID175170531
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Namemethanol;bis(N-methylprop-2-enamide)
SMILESC=CC(=O)NC.C=CC(=O)NC.CO
InChIInChI=1S/2C4H7NO.CH4O/c2*1-3-4(6)5-2;1-2/h2*3H,1H2,2H3,(H,5,6);2H,1H3
InChIKeyVWZLSDABKJIYFR-UHFFFAOYSA-N
XLogP-0.55
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methylphosphonic acid;N-methylprop-2-enamide
CID 160712581
sodium;benzene;hydride;N-methylprop-2-enamide
CID 173390942
but-1-ene;N-methylprop-2-enamide
CID 159446883
2-hydroxyacetic acid;N-methylprop-2-enamide
CID 87472265
N,N-dimethylacetamide;N-methylprop-2-enamide
CID 174991436
N-methylprop-2-enamide;prop-2-en-1-amine;hydrochloride
CID 174712757
diethylalumanylium;N-methylprop-2-enamide;chloride
CID 175303125
but-1-ene;N-methylprop-2-enamide;urea
CID 174740802
acetic acid;guanidine;N-methylprop-2-enamide
CID 174639401
N,N-dimethylethanamine;N-methylprop-2-enamide;hydrochloride
CID 174733111
azane;N-methylprop-2-enamide;2-propylpropanedioic acid
CID 172771679
N-(deuteriomethyl)prop-2-enamide
CID 140611365

Frequently Asked Questions

What is the IUPAC name of methanol;bis(N-methylprop-2-enamide)?
The IUPAC name of methanol;bis(N-methylprop-2-enamide) (CID 175170531) is methanol;bis(N-methylprop-2-enamide).
What is the SMILES notation for methanol;bis(N-methylprop-2-enamide)?
The canonical SMILES for methanol;bis(N-methylprop-2-enamide) is C=CC(=O)NC.C=CC(=O)NC.CO.
What is the InChIKey of methanol;bis(N-methylprop-2-enamide)?
The InChIKey is VWZLSDABKJIYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H7NO.CH4O/c2*1-3-4(6)5-2;1-2/h2*3H,1H2,2H3,(H,5,6);2H,1H3.
What are the key properties of methanol;bis(N-methylprop-2-enamide)?
methanol;bis(N-methylprop-2-enamide) has a molecular weight of 202.25 g/mol, XLogP of -0.55, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;bis(N-methylprop-2-enamide) is sourced from PubChem (CID 175170531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).