1-(ethenylamino)ethyl 2-methylprop-2-enoate

C8H13NO2 — CID 87899404

IUPAC1-(ethenylamino)ethyl 2-methylprop-2-enoate
SMILESC=CNC(C)OC(=O)C(=C)C
InChIInChI=1S/C8H13NO2/c1-5-9-7(4)11-8(10)6(2)3/h5,7,9H,1-2H2,3-4H3
InChIKeyZRDKTXCKNZKMOB-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.18
Rot. Bonds4

About 1-(ethenylamino)ethyl 2-methylprop-2-enoate

1-(ethenylamino)ethyl 2-methylprop-2-enoate (PubChem CID 87899404) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-(ethenylamino)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-(ethenylamino)ethyl 2-methylprop-2-enoate
PubChem CID87899404
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name1-(ethenylamino)ethyl 2-methylprop-2-enoate
SMILESC=CNC(C)OC(=O)C(=C)C
InChIInChI=1S/C8H13NO2/c1-5-9-7(4)11-8(10)6(2)3/h5,7,9H,1-2H2,3-4H3
InChIKeyZRDKTXCKNZKMOB-UHFFFAOYSA-N
XLogP1.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.18
H-Bond Donors ≤ 51
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

propan-2-yl 2-methylprop-2-enoate
CID 146421311
1-(carbonochloridoylamino)ethyl 2-methylprop-2-enoate
CID 140721028
methyl prop-2-enoate;propan-2-yl 2-methylprop-2-enoate
CID 174883570
[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649
(1-hydroxy-2-methylpropyl) 2-methylprop-2-enoate
CID 54304297
but-3-en-2-yl 2-methylprop-2-enoate;carbonic acid
CID 175587057
2-[1-(2-methylprop-2-enoyloxy)ethylamino]acetic acid
CID 174779990
1-(prop-2-enylamino)prop-2-enyl 2-methylprop-2-enoate
CID 87097761
benzene;propan-2-yl 2-methylprop-2-enoate
CID 174524984
1-[1-(2-methylprop-2-enoyloxy)prop-2-enoxy]prop-2-enyl 2-methylprop-2-enoate
CID 87514623
1-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrobromide
CID 19073826
1-aminoethyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 174390329

Frequently Asked Questions

What is the IUPAC name of 1-(ethenylamino)ethyl 2-methylprop-2-enoate?
The IUPAC name of 1-(ethenylamino)ethyl 2-methylprop-2-enoate (CID 87899404) is 1-(ethenylamino)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-(ethenylamino)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 1-(ethenylamino)ethyl 2-methylprop-2-enoate is C=CNC(C)OC(=O)C(=C)C.
What is the InChIKey of 1-(ethenylamino)ethyl 2-methylprop-2-enoate?
The InChIKey is ZRDKTXCKNZKMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-5-9-7(4)11-8(10)6(2)3/h5,7,9H,1-2H2,3-4H3.
What are the key properties of 1-(ethenylamino)ethyl 2-methylprop-2-enoate?
1-(ethenylamino)ethyl 2-methylprop-2-enoate has a molecular weight of 155.20 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethenylamino)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 87899404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).