N-carbamoyl-N-ethylbut-2-enamide

C7H12N2O2 — CID 54444909

IUPACN-carbamoyl-N-ethylbut-2-enamide
SMILESCC=CC(=O)N(CC)C(N)=O
InChIInChI=1S/C7H12N2O2/c1-3-5-6(10)9(4-2)7(8)11/h3,5H,4H2,1-2H3,(H2,8,11)
InChIKeyWQUSFGXEKFBNPN-UHFFFAOYSA-N
MW156.19 g/mol
LogP0.49
Rot. Bonds2

About N-carbamoyl-N-ethylbut-2-enamide

N-carbamoyl-N-ethylbut-2-enamide (PubChem CID 54444909) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is N-carbamoyl-N-ethylbut-2-enamide.

Molecular Properties

Compound NameN-carbamoyl-N-ethylbut-2-enamide
PubChem CID54444909
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC NameN-carbamoyl-N-ethylbut-2-enamide
SMILESCC=CC(=O)N(CC)C(N)=O
InChIInChI=1S/C7H12N2O2/c1-3-5-6(10)9(4-2)7(8)11/h3,5H,4H2,1-2H3,(H2,8,11)
InChIKeyWQUSFGXEKFBNPN-UHFFFAOYSA-N
XLogP0.49
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(Amino-methyl)-1h-pyrrole-2,5-dione
CID 21299453
N-allyl-5-oxo-2H-pyrrole-1-carboxamide
CID 134815541
(E)-N-propan-2-yl-N-(propan-2-ylcarbamoyl)but-2-enamide
CID 10584663
1-(1,2-Diaminoethyl)pyrrole-2,5-dione
CID 19783560
N-(1-aminoethyl)-N-methylprop-2-enamide
CID 20078802
1-(Methylaminomethyl)pyrrole-2,5-dione
CID 20577585
7-oxo-2H-azepine-1-carboxamide
CID 21101513
1-(1-Aminoethyl)pyrrole-2,5-dione
CID 21712066
1-(1-Aminoethyl)pyrrole-2,5-dione;hydrochloride
CID 21885720
1-(1-Aminopropyl)pyrrole-2,5-dione
CID 21918145
N-butyl-N-carbamoylprop-2-enamide
CID 22435582
N-[1-(2,5-dioxopyrrol-1-yl)propyl]prop-2-enamide
CID 22476920

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-N-ethylbut-2-enamide?
The IUPAC name of N-carbamoyl-N-ethylbut-2-enamide (CID 54444909) is N-carbamoyl-N-ethylbut-2-enamide.
What is the SMILES notation for N-carbamoyl-N-ethylbut-2-enamide?
The canonical SMILES for N-carbamoyl-N-ethylbut-2-enamide is CC=CC(=O)N(CC)C(N)=O.
What is the InChIKey of N-carbamoyl-N-ethylbut-2-enamide?
The InChIKey is WQUSFGXEKFBNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-3-5-6(10)9(4-2)7(8)11/h3,5H,4H2,1-2H3,(H2,8,11).
What are the key properties of N-carbamoyl-N-ethylbut-2-enamide?
N-carbamoyl-N-ethylbut-2-enamide has a molecular weight of 156.19 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-N-ethylbut-2-enamide is sourced from PubChem (CID 54444909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).