ethene;methanamine;hydrate

C3H11NO — CID 172680879

IUPACethene;methanamine;hydrate
SMILESC=C.CN.O
InChIInChI=1S/C2H4.CH5N.H2O/c2*1-2;/h1-2H2;2H2,1H3;1H2
InChIKeyAJMIHXJPDSLYHH-UHFFFAOYSA-N
MW77.13 g/mol
LogP-0.45
Rot. Bonds

About ethene;methanamine;hydrate

ethene;methanamine;hydrate (PubChem CID 172680879) has the molecular formula C3H11NO and a molecular weight of 77.13 g/mol. Its IUPAC name is ethene;methanamine;hydrate.

Molecular Properties

Compound Nameethene;methanamine;hydrate
PubChem CID172680879
Molecular FormulaC3H11NO
Molecular Weight77.13 g/mol
Exact Mass77.08
IUPAC Nameethene;methanamine;hydrate
SMILESC=C.CN.O
InChIInChI=1S/C2H4.CH5N.H2O/c2*1-2;/h1-2H2;2H2,1H3;1H2
InChIKeyAJMIHXJPDSLYHH-UHFFFAOYSA-N
XLogP-0.45
TPSA57.52 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50077.13
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethene;methanamine;hydrate 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

methanamine;pentahydrate
CID 172744028
ethanamine;ethene;hydrate
CID 175328912
calcium;hydride;methanamine;hydrate
CID 174963737
ethane;ethene;methanamine;molecular hydrogen;propane
CID 144532029
ethane;methanamine
CID 170584679
azane;ethene;hydrate
CID 173101950
ethene;methane;hydrate
CID 158941715
methanamine;hydrochloride
CID 175763103
ethane;ethene
CID 143337551
ethane;ethene
CID 143720951
methanamine;tetrahydrofluoride
CID 173208166
methanamine;prop-1-ene
CID 174317036

Frequently Asked Questions

What is the IUPAC name of ethene;methanamine;hydrate?
The IUPAC name of ethene;methanamine;hydrate (CID 172680879) is ethene;methanamine;hydrate.
What is the SMILES notation for ethene;methanamine;hydrate?
The canonical SMILES for ethene;methanamine;hydrate is C=C.CN.O.
What is the InChIKey of ethene;methanamine;hydrate?
The InChIKey is AJMIHXJPDSLYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4.CH5N.H2O/c2*1-2;/h1-2H2;2H2,1H3;1H2.
What are the key properties of ethene;methanamine;hydrate?
ethene;methanamine;hydrate has a molecular weight of 77.13 g/mol, XLogP of -0.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;methanamine;hydrate is sourced from PubChem (CID 172680879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).