ethyl 3-(dimethylamino)-2-(formamidomethyl)prop-2-enoate

C9H16N2O3 — CID 131858534

IUPACethyl 3-(dimethylamino)-2-(formamidomethyl)prop-2-enoate
SMILESCCOC(=O)C(=CN(C)C)CNC=O
InChIInChI=1S/C9H16N2O3/c1-4-14-9(13)8(5-10-7-12)6-11(2)3/h6-7H,4-5H2,1-3H3,(H,10,12)
InChIKeyOKYJDITZIZRBOW-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.26
Rot. Bonds6

About ethyl 3-(dimethylamino)-2-(formamidomethyl)prop-2-enoate

ethyl 3-(dimethylamino)-2-(formamidomethyl)prop-2-enoate (PubChem CID 131858534) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is ethyl 3-(dimethylamino)-2-(formamidomethyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(dimethylamino)-2-(formamidomethyl)prop-2-enoate
PubChem CID131858534
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Nameethyl 3-(dimethylamino)-2-(formamidomethyl)prop-2-enoate
SMILESCCOC(=O)C(=CN(C)C)CNC=O
InChIInChI=1S/C9H16N2O3/c1-4-14-9(13)8(5-10-7-12)6-11(2)3/h6-7H,4-5H2,1-3H3,(H,10,12)
InChIKeyOKYJDITZIZRBOW-UHFFFAOYSA-N
XLogP-0.26
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(dimethylamino)-2-(formamidomethyl)prop-2-enoate?
The IUPAC name of ethyl 3-(dimethylamino)-2-(formamidomethyl)prop-2-enoate (CID 131858534) is ethyl 3-(dimethylamino)-2-(formamidomethyl)prop-2-enoate.
What is the SMILES notation for ethyl 3-(dimethylamino)-2-(formamidomethyl)prop-2-enoate?
The canonical SMILES for ethyl 3-(dimethylamino)-2-(formamidomethyl)prop-2-enoate is CCOC(=O)C(=CN(C)C)CNC=O.
What is the InChIKey of ethyl 3-(dimethylamino)-2-(formamidomethyl)prop-2-enoate?
The InChIKey is OKYJDITZIZRBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-4-14-9(13)8(5-10-7-12)6-11(2)3/h6-7H,4-5H2,1-3H3,(H,10,12).
What are the key properties of ethyl 3-(dimethylamino)-2-(formamidomethyl)prop-2-enoate?
ethyl 3-(dimethylamino)-2-(formamidomethyl)prop-2-enoate has a molecular weight of 200.24 g/mol, XLogP of -0.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(dimethylamino)-2-(formamidomethyl)prop-2-enoate is sourced from PubChem (CID 131858534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).