propyl 3-(ethylamino)prop-2-enoate

C8H15NO2 — CID 141042047

IUPACpropyl 3-(ethylamino)prop-2-enoate
SMILESCCCOC(=O)C=CNCC
InChIInChI=1S/C8H15NO2/c1-3-7-11-8(10)5-6-9-4-2/h5-6,9H,3-4,7H2,1-2H3
InChIKeyBCXWWOVVBXZBPM-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.06
Rot. Bonds5

About propyl 3-(ethylamino)prop-2-enoate

propyl 3-(ethylamino)prop-2-enoate (PubChem CID 141042047) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is propyl 3-(ethylamino)prop-2-enoate.

Molecular Properties

Compound Namepropyl 3-(ethylamino)prop-2-enoate
PubChem CID141042047
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Namepropyl 3-(ethylamino)prop-2-enoate
SMILESCCCOC(=O)C=CNCC
InChIInChI=1S/C8H15NO2/c1-3-7-11-8(10)5-6-9-4-2/h5-6,9H,3-4,7H2,1-2H3
InChIKeyBCXWWOVVBXZBPM-UHFFFAOYSA-N
XLogP1.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

propyl 3-(methylamino)prop-2-enoate;hydrochloride
CID 141042044
propyl 3-aminoprop-2-enoate
CID 154061664
3-(ethylamino)prop-2-enoic acid
CID 87091440
3-(ethylamino)prop-2-enamide
CID 154070095
strontium bis((E)-4-oxo-4-propoxybut-2-enoate)
CID 11524184
1-O-propyl 4-O-silyl but-2-enedioate
CID 154277223
propyl (E)-4-oxo-4-[4-[[(E)-4-oxo-4-propoxybut-2-enoyl]amino]butylamino]but-2-enoate
CID 11793380
3-oxo-3-propoxyprop-1-ene-1-sulfonic acid
CID 54108023
4-O-pentan-3-yl 1-O-propyl (E)-but-2-enedioate
CID 91717412
propyl 5-methyl-4-oxohexa-2,5-dienoate
CID 175550756
propyl hepta-2,4,6-trienoate
CID 91134520
CID 57489595
CID 57489595

Frequently Asked Questions

What is the IUPAC name of propyl 3-(ethylamino)prop-2-enoate?
The IUPAC name of propyl 3-(ethylamino)prop-2-enoate (CID 141042047) is propyl 3-(ethylamino)prop-2-enoate.
What is the SMILES notation for propyl 3-(ethylamino)prop-2-enoate?
The canonical SMILES for propyl 3-(ethylamino)prop-2-enoate is CCCOC(=O)C=CNCC.
What is the InChIKey of propyl 3-(ethylamino)prop-2-enoate?
The InChIKey is BCXWWOVVBXZBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-7-11-8(10)5-6-9-4-2/h5-6,9H,3-4,7H2,1-2H3.
What are the key properties of propyl 3-(ethylamino)prop-2-enoate?
propyl 3-(ethylamino)prop-2-enoate has a molecular weight of 157.21 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-(ethylamino)prop-2-enoate is sourced from PubChem (CID 141042047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).