2-(ethylamino)propyl prop-2-enoate

C8H15NO2 — CID 57196832

IUPAC2-(ethylamino)propyl prop-2-enoate
SMILESC=CC(=O)OCC(C)NCC
InChIInChI=1S/C8H15NO2/c1-4-8(10)11-6-7(3)9-5-2/h4,7,9H,1,5-6H2,2-3H3
InChIKeyKDAHUGMXOVGQGC-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.71
Rot. Bonds5

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

2-(ethylamino)propyl prop-2-enoate (PubChem CID 57196832) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-(ethylamino)propyl prop-2-enoate.

Molecular Properties

Compound Name2-(ethylamino)propyl prop-2-enoate
PubChem CID57196832
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-(ethylamino)propyl prop-2-enoate
SMILESC=CC(=O)OCC(C)NCC
InChIInChI=1S/C8H15NO2/c1-4-8(10)11-6-7(3)9-5-2/h4,7,9H,1,5-6H2,2-3H3
InChIKeyKDAHUGMXOVGQGC-UHFFFAOYSA-N
XLogP0.71
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 ≤ 50.71
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

[(2S)-2-hydroxybutyl] prop-2-enoate
CID 141242121
[2-methyl-3-(2-methyl-3-prop-2-enoyloxypropoxy)carbonyloxypropyl] prop-2-enoate
CID 139835678
methane;2-prop-2-enoyloxypropyl prop-2-enoate
CID 161351901
3-(butan-2-ylamino)propyl prop-2-enoate
CID 54483162
[3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] 2-methylbutanoate
CID 58805573
2-(dimethylamino)propyl prop-2-enoate;prop-2-enoic acid
CID 154945547
[2-(butan-2-ylcarbamoyloxy)-3-methylbutyl] prop-2-enoate
CID 122555555
trimethyl(1-prop-2-enoyloxypropan-2-yl)azanium chloride
CID 87502467
2-chloropropyl prop-2-enoate;prop-2-enoic acid
CID 175785601
2,4-dimethylpent-3-enyl prop-2-enoate
CID 174401913
(2-ethyl-3-oxobutyl) prop-2-enoate
CID 20778543
2-hydroxypropyl 2-methyl-3-prop-2-enoyloxypropanoate
CID 151533065

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)propyl prop-2-enoate?
The IUPAC name of 2-(ethylamino)propyl prop-2-enoate (CID 57196832) is 2-(ethylamino)propyl prop-2-enoate.
What is the SMILES notation for 2-(ethylamino)propyl prop-2-enoate?
The canonical SMILES for 2-(ethylamino)propyl prop-2-enoate is C=CC(=O)OCC(C)NCC.
What is the InChIKey of 2-(ethylamino)propyl prop-2-enoate?
The InChIKey is KDAHUGMXOVGQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-8(10)11-6-7(3)9-5-2/h4,7,9H,1,5-6H2,2-3H3.
What are the key properties of 2-(ethylamino)propyl prop-2-enoate?
2-(ethylamino)propyl prop-2-enoate has a molecular weight of 157.21 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)propyl prop-2-enoate is sourced from PubChem (CID 57196832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).