N-[(E)-but-2-en-2-yl]-2-methanimidoylprop-2-enamide

C8H12N2O — CID 129171349

IUPACN-[(E)-but-2-en-2-yl]-2-methanimidoylprop-2-enamide
SMILES[H]/N=C/C(=C)C(=O)N/C(C)=C/C
InChIInChI=1S/C8H12N2O/c1-4-7(3)10-8(11)6(2)5-9/h4-5,9H,2H2,1,3H3,(H,10,11)/b7-4+,9-5+
InChIKeyBQKYCEYCEZOBAI-XCIOYXGDSA-N
MW152.20 g/mol
LogP1.23
Rot. Bonds3

About N-[(E)-but-2-en-2-yl]-2-methanimidoylprop-2-enamide

N-[(E)-but-2-en-2-yl]-2-methanimidoylprop-2-enamide (PubChem CID 129171349) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is N-[(E)-but-2-en-2-yl]-2-methanimidoylprop-2-enamide.

Molecular Properties

Compound NameN-[(E)-but-2-en-2-yl]-2-methanimidoylprop-2-enamide
PubChem CID129171349
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC NameN-[(E)-but-2-en-2-yl]-2-methanimidoylprop-2-enamide
SMILES[H]/N=C/C(=C)C(=O)N/C(C)=C/C
InChIInChI=1S/C8H12N2O/c1-4-7(3)10-8(11)6(2)5-9/h4-5,9H,2H2,1,3H3,(H,10,11)/b7-4+,9-5+
InChIKeyBQKYCEYCEZOBAI-XCIOYXGDSA-N
XLogP1.23
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-en-2-yl]-2-methanimidoylprop-2-enamide?
The IUPAC name of N-[(E)-but-2-en-2-yl]-2-methanimidoylprop-2-enamide (CID 129171349) is N-[(E)-but-2-en-2-yl]-2-methanimidoylprop-2-enamide.
What is the SMILES notation for N-[(E)-but-2-en-2-yl]-2-methanimidoylprop-2-enamide?
The canonical SMILES for N-[(E)-but-2-en-2-yl]-2-methanimidoylprop-2-enamide is [H]/N=C/C(=C)C(=O)N/C(C)=C/C.
What is the InChIKey of N-[(E)-but-2-en-2-yl]-2-methanimidoylprop-2-enamide?
The InChIKey is BQKYCEYCEZOBAI-XCIOYXGDSA-N. The full InChI is InChI=1S/C8H12N2O/c1-4-7(3)10-8(11)6(2)5-9/h4-5,9H,2H2,1,3H3,(H,10,11)/b7-4+,9-5+.
What are the key properties of N-[(E)-but-2-en-2-yl]-2-methanimidoylprop-2-enamide?
N-[(E)-but-2-en-2-yl]-2-methanimidoylprop-2-enamide has a molecular weight of 152.20 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-en-2-yl]-2-methanimidoylprop-2-enamide is sourced from PubChem (CID 129171349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).