2-(3-methylbut-2-enylamino)ethyl prop-2-enoate

C10H17NO2 — CID 140524543

IUPAC2-(3-methylbut-2-enylamino)ethyl prop-2-enoate
SMILESC=CC(=O)OCCNCC=C(C)C
InChIInChI=1S/C10H17NO2/c1-4-10(12)13-8-7-11-6-5-9(2)3/h4-5,11H,1,6-8H2,2-3H3
InChIKeyUQGXBBVYROSDCI-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.27
Rot. Bonds6

About 2-(3-methylbut-2-enylamino)ethyl prop-2-enoate

2-(3-methylbut-2-enylamino)ethyl prop-2-enoate (PubChem CID 140524543) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-(3-methylbut-2-enylamino)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(3-methylbut-2-enylamino)ethyl prop-2-enoate
PubChem CID140524543
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-(3-methylbut-2-enylamino)ethyl prop-2-enoate
SMILESC=CC(=O)OCCNCC=C(C)C
InChIInChI=1S/C10H17NO2/c1-4-10(12)13-8-7-11-6-5-9(2)3/h4-5,11H,1,6-8H2,2-3H3
InChIKeyUQGXBBVYROSDCI-UHFFFAOYSA-N
XLogP1.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-acetamidoethyl prop-2-enoate
CID 23089005
2-acetamidoethyl prop-2-enoate;ethane
CID 158515563
2-formamidoethyl prop-2-enoate
CID 18401312
2-(tridecylamino)ethyl prop-2-enoate
CID 141468520
(2-prop-2-enoyloxyethylamino)methanesulfonic acid
CID 150122074
tris(methyl(2-prop-2-enoyloxyethyl)azanium);trichloride
CID 140990808
2-(nona-3,7-dienylamino)ethyl prop-2-enoate
CID 173005917
2-(2-methylpropanoylamino)ethyl prop-2-enoate
CID 45120227
2-(ethylsulfanylcarbonylamino)ethyl prop-2-enoate
CID 148821363
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
[2,2-dimethyl-3-(2-prop-2-enoyloxyethylamino)propyl] 2-methylpropanoate
CID 90296516
N-(2-prop-2-enoyloxyethyl)carbamate
CID 20502002

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbut-2-enylamino)ethyl prop-2-enoate?
The IUPAC name of 2-(3-methylbut-2-enylamino)ethyl prop-2-enoate (CID 140524543) is 2-(3-methylbut-2-enylamino)ethyl prop-2-enoate.
What is the SMILES notation for 2-(3-methylbut-2-enylamino)ethyl prop-2-enoate?
The canonical SMILES for 2-(3-methylbut-2-enylamino)ethyl prop-2-enoate is C=CC(=O)OCCNCC=C(C)C.
What is the InChIKey of 2-(3-methylbut-2-enylamino)ethyl prop-2-enoate?
The InChIKey is UQGXBBVYROSDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-4-10(12)13-8-7-11-6-5-9(2)3/h4-5,11H,1,6-8H2,2-3H3.
What are the key properties of 2-(3-methylbut-2-enylamino)ethyl prop-2-enoate?
2-(3-methylbut-2-enylamino)ethyl prop-2-enoate has a molecular weight of 183.25 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbut-2-enylamino)ethyl prop-2-enoate is sourced from PubChem (CID 140524543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).