ethanol;N-ethylethanamine;prop-2-enoic acid

C9H21NO3 — CID 174573072

IUPACethanol;N-ethylethanamine;prop-2-enoic acid
SMILESC=CC(=O)O.CCNCC.CCO
InChIInChI=1S/C4H11N.C3H4O2.C2H6O/c1-3-5-4-2;1-2-3(4)5;1-2-3/h5H,3-4H2,1-2H3;2H,1H2,(H,4,5);3H,2H2,1H3
InChIKeyNLUDZRRAWCDNMR-UHFFFAOYSA-N
MW191.27 g/mol
LogP0.87
Rot. Bonds3

About ethanol;N-ethylethanamine;prop-2-enoic acid

ethanol;N-ethylethanamine;prop-2-enoic acid (PubChem CID 174573072) has the molecular formula C9H21NO3 and a molecular weight of 191.27 g/mol. Its IUPAC name is ethanol;N-ethylethanamine;prop-2-enoic acid.

Molecular Properties

Compound Nameethanol;N-ethylethanamine;prop-2-enoic acid
PubChem CID174573072
Molecular FormulaC9H21NO3
Molecular Weight191.27 g/mol
Exact Mass191.15
IUPAC Nameethanol;N-ethylethanamine;prop-2-enoic acid
SMILESC=CC(=O)O.CCNCC.CCO
InChIInChI=1S/C4H11N.C3H4O2.C2H6O/c1-3-5-4-2;1-2-3(4)5;1-2-3/h5H,3-4H2,1-2H3;2H,1H2,(H,4,5);3H,2H2,1H3
InChIKeyNLUDZRRAWCDNMR-UHFFFAOYSA-N
XLogP0.87
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 50.87
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

ethanol;prop-2-enoic acid
CID 159350313
N-methylethanamine;prop-2-enoic acid
CID 87363958
propan-1-ol;tetrakis(prop-2-enoic acid)
CID 158521080
3-(ethylamino)propanamide;prop-2-enoic acid
CID 22182171
dodecakis(ethane-1,2-diol);tridecakis(prop-2-enoic acid)
CID 173073218
ethane-1,2-diol;tetrakis(prop-2-enoic acid)
CID 157215005
methanol;prop-2-enoic acid
CID 159043362
butan-1-ol;prop-2-enoic acid
CID 18402454
prop-2-enoic acid;silylmethanol
CID 175499184
CID 173373039
CID 173373039
bis(propane-1,1,1-triol);tris(prop-2-enoic acid)
CID 160840760
heptadecane;prop-2-enoic acid
CID 158681422

Frequently Asked Questions

What is the IUPAC name of ethanol;N-ethylethanamine;prop-2-enoic acid?
The IUPAC name of ethanol;N-ethylethanamine;prop-2-enoic acid (CID 174573072) is ethanol;N-ethylethanamine;prop-2-enoic acid.
What is the SMILES notation for ethanol;N-ethylethanamine;prop-2-enoic acid?
The canonical SMILES for ethanol;N-ethylethanamine;prop-2-enoic acid is C=CC(=O)O.CCNCC.CCO.
What is the InChIKey of ethanol;N-ethylethanamine;prop-2-enoic acid?
The InChIKey is NLUDZRRAWCDNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.C3H4O2.C2H6O/c1-3-5-4-2;1-2-3(4)5;1-2-3/h5H,3-4H2,1-2H3;2H,1H2,(H,4,5);3H,2H2,1H3.
What are the key properties of ethanol;N-ethylethanamine;prop-2-enoic acid?
ethanol;N-ethylethanamine;prop-2-enoic acid has a molecular weight of 191.27 g/mol, XLogP of 0.87, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;N-ethylethanamine;prop-2-enoic acid is sourced from PubChem (CID 174573072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).