N-[(E)-1-ethyliminobut-2-en-2-yl]propanamide

C9H16N2O — CID 170752069

IUPACN-[(E)-1-ethyliminobut-2-en-2-yl]propanamide
SMILESC/C=C(\C=N\CC)NC(=O)CC
InChIInChI=1S/C9H16N2O/c1-4-8(7-10-6-3)11-9(12)5-2/h4,7H,5-6H2,1-3H3,(H,11,12)/b8-4+,10-7+
InChIKeyMZANYPGMEAAXFE-AJQRHIRFSA-N
MW168.24 g/mol
LogP1.51
Rot. Bonds4

About N-[(E)-1-ethyliminobut-2-en-2-yl]propanamide

N-[(E)-1-ethyliminobut-2-en-2-yl]propanamide (PubChem CID 170752069) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-[(E)-1-ethyliminobut-2-en-2-yl]propanamide.

Molecular Properties

Compound NameN-[(E)-1-ethyliminobut-2-en-2-yl]propanamide
PubChem CID170752069
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-[(E)-1-ethyliminobut-2-en-2-yl]propanamide
SMILESC/C=C(\C=N\CC)NC(=O)CC
InChIInChI=1S/C9H16N2O/c1-4-8(7-10-6-3)11-9(12)5-2/h4,7H,5-6H2,1-3H3,(H,11,12)/b8-4+,10-7+
InChIKeyMZANYPGMEAAXFE-AJQRHIRFSA-N
XLogP1.51
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-ethyliminobut-2-en-2-yl]propanamide?
The IUPAC name of N-[(E)-1-ethyliminobut-2-en-2-yl]propanamide (CID 170752069) is N-[(E)-1-ethyliminobut-2-en-2-yl]propanamide.
What is the SMILES notation for N-[(E)-1-ethyliminobut-2-en-2-yl]propanamide?
The canonical SMILES for N-[(E)-1-ethyliminobut-2-en-2-yl]propanamide is C/C=C(\C=N\CC)NC(=O)CC.
What is the InChIKey of N-[(E)-1-ethyliminobut-2-en-2-yl]propanamide?
The InChIKey is MZANYPGMEAAXFE-AJQRHIRFSA-N. The full InChI is InChI=1S/C9H16N2O/c1-4-8(7-10-6-3)11-9(12)5-2/h4,7H,5-6H2,1-3H3,(H,11,12)/b8-4+,10-7+.
What are the key properties of N-[(E)-1-ethyliminobut-2-en-2-yl]propanamide?
N-[(E)-1-ethyliminobut-2-en-2-yl]propanamide has a molecular weight of 168.24 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-ethyliminobut-2-en-2-yl]propanamide is sourced from PubChem (CID 170752069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).