methanamine;prop-2-enamide;hydrate

C4H12N2O2 — CID 174696935

IUPACmethanamine;prop-2-enamide;hydrate
SMILESC=CC(N)=O.CN.O
InChIInChI=1S/C3H5NO.CH5N.H2O/c1-2-3(4)5;1-2;/h2H,1H2,(H2,4,5);2H2,1H3;1H2
InChIKeyLYFWSNRUHXQJKQ-UHFFFAOYSA-N
MW120.15 g/mol
LogP-1.59
Rot. Bonds1

About methanamine;prop-2-enamide;hydrate

methanamine;prop-2-enamide;hydrate (PubChem CID 174696935) has the molecular formula C4H12N2O2 and a molecular weight of 120.15 g/mol. Its IUPAC name is methanamine;prop-2-enamide;hydrate.

Molecular Properties

Compound Namemethanamine;prop-2-enamide;hydrate
PubChem CID174696935
Molecular FormulaC4H12N2O2
Molecular Weight120.15 g/mol
Exact Mass120.09
IUPAC Namemethanamine;prop-2-enamide;hydrate
SMILESC=CC(N)=O.CN.O
InChIInChI=1S/C3H5NO.CH5N.H2O/c1-2-3(4)5;1-2;/h2H,1H2,(H2,4,5);2H2,1H3;1H2
InChIKeyLYFWSNRUHXQJKQ-UHFFFAOYSA-N
XLogP-1.59
TPSA100.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 5-1.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

acetamide;prop-2-enamide
CID 158566181
CID 118976628
CID 118976628
prop-2-enamide iodide
CID 19796963
prop-2-enamide;ruthenium
CID 90254548
CID 175387410
CID 175387410
molecular hydrogen;prop-2-enamide
CID 156651584
magnesium;prop-2-enamide;dihydroxide
CID 175298952
potassium;prop-2-enamide;chloride
CID 161245795
CID 172708986
CID 172708986
ethene-1,1-diol;prop-2-enamide
CID 174658864
azanium;prop-2-enamide;acetate
CID 172806462
sodium;prop-2-enamide;acetate
CID 87656488

Frequently Asked Questions

What is the IUPAC name of methanamine;prop-2-enamide;hydrate?
The IUPAC name of methanamine;prop-2-enamide;hydrate (CID 174696935) is methanamine;prop-2-enamide;hydrate.
What is the SMILES notation for methanamine;prop-2-enamide;hydrate?
The canonical SMILES for methanamine;prop-2-enamide;hydrate is C=CC(N)=O.CN.O.
What is the InChIKey of methanamine;prop-2-enamide;hydrate?
The InChIKey is LYFWSNRUHXQJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO.CH5N.H2O/c1-2-3(4)5;1-2;/h2H,1H2,(H2,4,5);2H2,1H3;1H2.
What are the key properties of methanamine;prop-2-enamide;hydrate?
methanamine;prop-2-enamide;hydrate has a molecular weight of 120.15 g/mol, XLogP of -1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;prop-2-enamide;hydrate is sourced from PubChem (CID 174696935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).