N-ethylethanamine;prop-2-enoic acid

C7H15NO2 — CID 86762477

IUPACN-ethylethanamine;prop-2-enoic acid
SMILESC=CC(=O)O.CCNCC
InChIInChI=1S/C4H11N.C3H4O2/c1-3-5-4-2;1-2-3(4)5/h5H,3-4H2,1-2H3;2H,1H2,(H,4,5)
InChIKeyHRYADLYDADNZHC-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.87
Rot. Bonds3

About N-ethylethanamine;prop-2-enoic acid

N-ethylethanamine;prop-2-enoic acid (PubChem CID 86762477) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is N-ethylethanamine;prop-2-enoic acid.

Molecular Properties

Compound NameN-ethylethanamine;prop-2-enoic acid
PubChem CID86762477
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC NameN-ethylethanamine;prop-2-enoic acid
SMILESC=CC(=O)O.CCNCC
InChIInChI=1S/C4H11N.C3H4O2/c1-3-5-4-2;1-2-3(4)5/h5H,3-4H2,1-2H3;2H,1H2,(H,4,5)
InChIKeyHRYADLYDADNZHC-UHFFFAOYSA-N
XLogP0.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.87
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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Frequently Asked Questions

What is the IUPAC name of N-ethylethanamine;prop-2-enoic acid?
The IUPAC name of N-ethylethanamine;prop-2-enoic acid (CID 86762477) is N-ethylethanamine;prop-2-enoic acid.
What is the SMILES notation for N-ethylethanamine;prop-2-enoic acid?
The canonical SMILES for N-ethylethanamine;prop-2-enoic acid is C=CC(=O)O.CCNCC.
What is the InChIKey of N-ethylethanamine;prop-2-enoic acid?
The InChIKey is HRYADLYDADNZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.C3H4O2/c1-3-5-4-2;1-2-3(4)5/h5H,3-4H2,1-2H3;2H,1H2,(H,4,5).
What are the key properties of N-ethylethanamine;prop-2-enoic acid?
N-ethylethanamine;prop-2-enoic acid has a molecular weight of 145.20 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylethanamine;prop-2-enoic acid is sourced from PubChem (CID 86762477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).