3-methylimino-N-[(E)-pent-2-en-2-yl]propanamide

C9H16N2O — CID 142859314

IUPAC3-methylimino-N-[(E)-pent-2-en-2-yl]propanamide
SMILESCC/C=C(\C)NC(=O)C/C=N/C
InChIInChI=1S/C9H16N2O/c1-4-5-8(2)11-9(12)6-7-10-3/h5,7H,4,6H2,1-3H3,(H,11,12)/b8-5+,10-7+
InChIKeyJKQITVYIXNWHCT-FQOLVZPASA-N
MW168.24 g/mol
LogP1.51
Rot. Bonds4

About 3-methylimino-N-[(E)-pent-2-en-2-yl]propanamide

3-methylimino-N-[(E)-pent-2-en-2-yl]propanamide (PubChem CID 142859314) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-methylimino-N-[(E)-pent-2-en-2-yl]propanamide.

Molecular Properties

Compound Name3-methylimino-N-[(E)-pent-2-en-2-yl]propanamide
PubChem CID142859314
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name3-methylimino-N-[(E)-pent-2-en-2-yl]propanamide
SMILESCC/C=C(\C)NC(=O)C/C=N/C
InChIInChI=1S/C9H16N2O/c1-4-5-8(2)11-9(12)6-7-10-3/h5,7H,4,6H2,1-3H3,(H,11,12)/b8-5+,10-7+
InChIKeyJKQITVYIXNWHCT-FQOLVZPASA-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 3-methylimino-N-[(E)-pent-2-en-2-yl]propanamide?
The IUPAC name of 3-methylimino-N-[(E)-pent-2-en-2-yl]propanamide (CID 142859314) is 3-methylimino-N-[(E)-pent-2-en-2-yl]propanamide.
What is the SMILES notation for 3-methylimino-N-[(E)-pent-2-en-2-yl]propanamide?
The canonical SMILES for 3-methylimino-N-[(E)-pent-2-en-2-yl]propanamide is CC/C=C(\C)NC(=O)C/C=N/C.
What is the InChIKey of 3-methylimino-N-[(E)-pent-2-en-2-yl]propanamide?
The InChIKey is JKQITVYIXNWHCT-FQOLVZPASA-N. The full InChI is InChI=1S/C9H16N2O/c1-4-5-8(2)11-9(12)6-7-10-3/h5,7H,4,6H2,1-3H3,(H,11,12)/b8-5+,10-7+.
What are the key properties of 3-methylimino-N-[(E)-pent-2-en-2-yl]propanamide?
3-methylimino-N-[(E)-pent-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 3-methylimino-N-[(E)-pent-2-en-2-yl]propanamide is sourced from PubChem (CID 142859314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).