[methyl(propyl)amino]methyl prop-2-enoate

C8H15NO2 — CID 91333116

IUPAC[methyl(propyl)amino]methyl prop-2-enoate
SMILESC=CC(=O)OCN(C)CCC
InChIInChI=1S/C8H15NO2/c1-4-6-9(3)7-11-8(10)5-2/h5H,2,4,6-7H2,1,3H3
InChIKeyNQCDMSDPUPYCMB-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.01
Rot. Bonds5

About [methyl(propyl)amino]methyl prop-2-enoate

[methyl(propyl)amino]methyl prop-2-enoate (PubChem CID 91333116) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is [methyl(propyl)amino]methyl prop-2-enoate.

Molecular Properties

Compound Name[methyl(propyl)amino]methyl prop-2-enoate
PubChem CID91333116
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name[methyl(propyl)amino]methyl prop-2-enoate
SMILESC=CC(=O)OCN(C)CCC
InChIInChI=1S/C8H15NO2/c1-4-6-9(3)7-11-8(10)5-2/h5H,2,4,6-7H2,1,3H3
InChIKeyNQCDMSDPUPYCMB-UHFFFAOYSA-N
XLogP1.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(dihexylamino)methyl prop-2-enoate
CID 22389684
[bis(prop-2-enoyloxymethyl)amino]methyl prop-2-enoate
CID 58984040
2-[acetyl(propyl)amino]ethyl prop-2-enoate
CID 118477118
bromoethane;2-(dimethylamino)ethyl prop-2-enoate
CID 174957893
ethyl prop-2-enoate;sulfane
CID 157093783
ethenamine;ethyl prop-2-enoate
CID 22022699
ethyl prop-2-enoate;hydrochloride
CID 87359594
ethyl prop-2-enoate;hydroiodide
CID 159738872
N,N-dimethylpropan-1-amine;bis(prop-2-enamide)
CID 158610265
carbamic acid;propyl prop-2-enoate
CID 87571569
2-aminoethyl prop-2-enoate;N,N-dimethylmethanamine
CID 172733974
hydroxymethyl prop-2-enoate;hydrate
CID 88522890

Frequently Asked Questions

What is the IUPAC name of [methyl(propyl)amino]methyl prop-2-enoate?
The IUPAC name of [methyl(propyl)amino]methyl prop-2-enoate (CID 91333116) is [methyl(propyl)amino]methyl prop-2-enoate.
What is the SMILES notation for [methyl(propyl)amino]methyl prop-2-enoate?
The canonical SMILES for [methyl(propyl)amino]methyl prop-2-enoate is C=CC(=O)OCN(C)CCC.
What is the InChIKey of [methyl(propyl)amino]methyl prop-2-enoate?
The InChIKey is NQCDMSDPUPYCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-6-9(3)7-11-8(10)5-2/h5H,2,4,6-7H2,1,3H3.
What are the key properties of [methyl(propyl)amino]methyl prop-2-enoate?
[methyl(propyl)amino]methyl prop-2-enoate has a molecular weight of 157.21 g/mol, XLogP of 1.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl(propyl)amino]methyl prop-2-enoate is sourced from PubChem (CID 91333116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).