(Z)-N-(2-aminoethyl)-N,2,3-trimethyl-4-oxobut-2-enamide

C9H16N2O2 — CID 153346683

IUPAC(Z)-N-(2-aminoethyl)-N,2,3-trimethyl-4-oxobut-2-enamide
SMILESC/C(C=O)=C(\C)C(=O)N(C)CCN
InChIInChI=1S/C9H16N2O2/c1-7(6-12)8(2)9(13)11(3)5-4-10/h6H,4-5,10H2,1-3H3/b8-7-
InChIKeyOYBWMIHBGFYRCW-FPLPWBNLSA-N
MW184.24 g/mol
LogP-0.06
Rot. Bonds4

About (Z)-N-(2-aminoethyl)-N,2,3-trimethyl-4-oxobut-2-enamide

(Z)-N-(2-aminoethyl)-N,2,3-trimethyl-4-oxobut-2-enamide (PubChem CID 153346683) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (Z)-N-(2-aminoethyl)-N,2,3-trimethyl-4-oxobut-2-enamide.

Molecular Properties

Compound Name(Z)-N-(2-aminoethyl)-N,2,3-trimethyl-4-oxobut-2-enamide
PubChem CID153346683
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name(Z)-N-(2-aminoethyl)-N,2,3-trimethyl-4-oxobut-2-enamide
SMILESC/C(C=O)=C(\C)C(=O)N(C)CCN
InChIInChI=1S/C9H16N2O2/c1-7(6-12)8(2)9(13)11(3)5-4-10/h6H,4-5,10H2,1-3H3/b8-7-
InChIKeyOYBWMIHBGFYRCW-FPLPWBNLSA-N
XLogP-0.06
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.06
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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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2-aminoethyl)-N,2,3-trimethyl-4-oxobut-2-enamide?
The IUPAC name of (Z)-N-(2-aminoethyl)-N,2,3-trimethyl-4-oxobut-2-enamide (CID 153346683) is (Z)-N-(2-aminoethyl)-N,2,3-trimethyl-4-oxobut-2-enamide.
What is the SMILES notation for (Z)-N-(2-aminoethyl)-N,2,3-trimethyl-4-oxobut-2-enamide?
The canonical SMILES for (Z)-N-(2-aminoethyl)-N,2,3-trimethyl-4-oxobut-2-enamide is C/C(C=O)=C(\C)C(=O)N(C)CCN.
What is the InChIKey of (Z)-N-(2-aminoethyl)-N,2,3-trimethyl-4-oxobut-2-enamide?
The InChIKey is OYBWMIHBGFYRCW-FPLPWBNLSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-7(6-12)8(2)9(13)11(3)5-4-10/h6H,4-5,10H2,1-3H3/b8-7-.
What are the key properties of (Z)-N-(2-aminoethyl)-N,2,3-trimethyl-4-oxobut-2-enamide?
(Z)-N-(2-aminoethyl)-N,2,3-trimethyl-4-oxobut-2-enamide has a molecular weight of 184.24 g/mol, XLogP of -0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-aminoethyl)-N,2,3-trimethyl-4-oxobut-2-enamide is sourced from PubChem (CID 153346683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).