ethyl 2-methylprop-2-enoate;N-methylformamide

C8H15NO3 — CID 158565771

IUPACethyl 2-methylprop-2-enoate;N-methylformamide
SMILESC=C(C)C(=O)OCC.CNC=O
InChIInChI=1S/C6H10O2.C2H5NO/c1-4-8-6(7)5(2)3;1-3-2-4/h2,4H2,1,3H3;2H,1H3,(H,3,4)
InChIKeyHRLKLQIDTGPKRY-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.49
Rot. Bonds3

About ethyl 2-methylprop-2-enoate;N-methylformamide

ethyl 2-methylprop-2-enoate;N-methylformamide (PubChem CID 158565771) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is ethyl 2-methylprop-2-enoate;N-methylformamide.

Molecular Properties

Compound Nameethyl 2-methylprop-2-enoate;N-methylformamide
PubChem CID158565771
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Nameethyl 2-methylprop-2-enoate;N-methylformamide
SMILESC=C(C)C(=O)OCC.CNC=O
InChIInChI=1S/C6H10O2.C2H5NO/c1-4-8-6(7)5(2)3;1-3-2-4/h2,4H2,1,3H3;2H,1H3,(H,3,4)
InChIKeyHRLKLQIDTGPKRY-UHFFFAOYSA-N
XLogP0.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-methylprop-2-enoate
CID 130475774
sodium ethyl 2-methylprop-2-enoate
CID 23346885
ethyl 2-methylprop-2-enoate;phosphane
CID 159151613
ethane;bis(ethyl 2-methylprop-2-enoate)
CID 146295289
ethyl 2-methylprop-2-enoate;methane
CID 159235789
ethenol;ethyl 2-methylprop-2-enoate
CID 174606807
sodium;ethyl 2-methylprop-2-enoate;hydride
CID 173442862
cyanic acid;ethyl 2-methylprop-2-enoate
CID 172737974
N-butylbutan-1-amine;ethyl 2-methylprop-2-enoate
CID 158486593
butanedioic acid;bis(ethyl 2-methylprop-2-enoate)
CID 22400036
2-ethylbut-1-en-1-amine;ethyl 2-methylprop-2-enoate
CID 175401035
adamantane;ethyl 2-methylprop-2-enoate
CID 175529705

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methylprop-2-enoate;N-methylformamide?
The IUPAC name of ethyl 2-methylprop-2-enoate;N-methylformamide (CID 158565771) is ethyl 2-methylprop-2-enoate;N-methylformamide.
What is the SMILES notation for ethyl 2-methylprop-2-enoate;N-methylformamide?
The canonical SMILES for ethyl 2-methylprop-2-enoate;N-methylformamide is C=C(C)C(=O)OCC.CNC=O.
What is the InChIKey of ethyl 2-methylprop-2-enoate;N-methylformamide?
The InChIKey is HRLKLQIDTGPKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2.C2H5NO/c1-4-8-6(7)5(2)3;1-3-2-4/h2,4H2,1,3H3;2H,1H3,(H,3,4).
What are the key properties of ethyl 2-methylprop-2-enoate;N-methylformamide?
ethyl 2-methylprop-2-enoate;N-methylformamide has a molecular weight of 173.21 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methylprop-2-enoate;N-methylformamide is sourced from PubChem (CID 158565771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).