ethane;(Z)-N-methyl-4-oxo-N-propylbut-2-enamide

C10H19NO2 — CID 176697767

IUPACethane;(Z)-N-methyl-4-oxo-N-propylbut-2-enamide
SMILESCC.CCCN(C)C(=O)/C=C\C=O
InChIInChI=1S/C8H13NO2.C2H6/c1-3-6-9(2)8(11)5-4-7-10;1-2/h4-5,7H,3,6H2,1-2H3;1-2H3/b5-4-;
InChIKeyIHZZJIBTTAKBFE-MKWAYWHRSA-N
MW185.27 g/mol
LogP1.64
Rot. Bonds4

About ethane;(Z)-N-methyl-4-oxo-N-propylbut-2-enamide

ethane;(Z)-N-methyl-4-oxo-N-propylbut-2-enamide (PubChem CID 176697767) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is ethane;(Z)-N-methyl-4-oxo-N-propylbut-2-enamide.

Molecular Properties

Compound Nameethane;(Z)-N-methyl-4-oxo-N-propylbut-2-enamide
PubChem CID176697767
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nameethane;(Z)-N-methyl-4-oxo-N-propylbut-2-enamide
SMILESCC.CCCN(C)C(=O)/C=C\C=O
InChIInChI=1S/C8H13NO2.C2H6/c1-3-6-9(2)8(11)5-4-7-10;1-2/h4-5,7H,3,6H2,1-2H3;1-2H3/b5-4-;
InChIKeyIHZZJIBTTAKBFE-MKWAYWHRSA-N
XLogP1.64
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 ethane;(Z)-N-methyl-4-oxo-N-propylbut-2-enamide?
The IUPAC name of ethane;(Z)-N-methyl-4-oxo-N-propylbut-2-enamide (CID 176697767) is ethane;(Z)-N-methyl-4-oxo-N-propylbut-2-enamide.
What is the SMILES notation for ethane;(Z)-N-methyl-4-oxo-N-propylbut-2-enamide?
The canonical SMILES for ethane;(Z)-N-methyl-4-oxo-N-propylbut-2-enamide is CC.CCCN(C)C(=O)/C=C\C=O.
What is the InChIKey of ethane;(Z)-N-methyl-4-oxo-N-propylbut-2-enamide?
The InChIKey is IHZZJIBTTAKBFE-MKWAYWHRSA-N. The full InChI is InChI=1S/C8H13NO2.C2H6/c1-3-6-9(2)8(11)5-4-7-10;1-2/h4-5,7H,3,6H2,1-2H3;1-2H3/b5-4-;.
What are the key properties of ethane;(Z)-N-methyl-4-oxo-N-propylbut-2-enamide?
ethane;(Z)-N-methyl-4-oxo-N-propylbut-2-enamide has a molecular weight of 185.27 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-N-methyl-4-oxo-N-propylbut-2-enamide is sourced from PubChem (CID 176697767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).