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

C10H18N2O — CID 170752285

IUPAC2-methyl-N-[(E)-1-methyliminopent-2-en-2-yl]propanamide
SMILESCC/C=C(\C=N\C)NC(=O)C(C)C
InChIInChI=1S/C10H18N2O/c1-5-6-9(7-11-4)12-10(13)8(2)3/h6-8H,5H2,1-4H3,(H,12,13)/b9-6+,11-7+
InChIKeyBDWNJXWWEXCENV-QHAIXMIYSA-N
MW182.27 g/mol
LogP1.75
Rot. Bonds4

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

2-methyl-N-[(E)-1-methyliminopent-2-en-2-yl]propanamide (PubChem CID 170752285) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-methyl-N-[(E)-1-methyliminopent-2-en-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(E)-1-methyliminopent-2-en-2-yl]propanamide
PubChem CID170752285
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-methyl-N-[(E)-1-methyliminopent-2-en-2-yl]propanamide
SMILESCC/C=C(\C=N\C)NC(=O)C(C)C
InChIInChI=1S/C10H18N2O/c1-5-6-9(7-11-4)12-10(13)8(2)3/h6-8H,5H2,1-4H3,(H,12,13)/b9-6+,11-7+
InChIKeyBDWNJXWWEXCENV-QHAIXMIYSA-N
XLogP1.75
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[(E)-1-methyliminopent-2-en-2-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(E)-1-methyliminopent-2-en-2-yl]propanamide?
The IUPAC name of 2-methyl-N-[(E)-1-methyliminopent-2-en-2-yl]propanamide (CID 170752285) is 2-methyl-N-[(E)-1-methyliminopent-2-en-2-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[(E)-1-methyliminopent-2-en-2-yl]propanamide?
The canonical SMILES for 2-methyl-N-[(E)-1-methyliminopent-2-en-2-yl]propanamide is CC/C=C(\C=N\C)NC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[(E)-1-methyliminopent-2-en-2-yl]propanamide?
The InChIKey is BDWNJXWWEXCENV-QHAIXMIYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-5-6-9(7-11-4)12-10(13)8(2)3/h6-8H,5H2,1-4H3,(H,12,13)/b9-6+,11-7+.
What are the key properties of 2-methyl-N-[(E)-1-methyliminopent-2-en-2-yl]propanamide?
2-methyl-N-[(E)-1-methyliminopent-2-en-2-yl]propanamide has a molecular weight of 182.27 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-1-methyliminopent-2-en-2-yl]propanamide is sourced from PubChem (CID 170752285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).