2-methyl-N-[(3E)-5-methyliminopenta-1,3-dien-3-yl]propanamide

C10H16N2O — CID 175614047

IUPAC2-methyl-N-[(3E)-5-methyliminopenta-1,3-dien-3-yl]propanamide
SMILESC=C/C(=C\C=N\C)NC(=O)C(C)C
InChIInChI=1S/C10H16N2O/c1-5-9(6-7-11-4)12-10(13)8(2)3/h5-8H,1H2,2-4H3,(H,12,13)/b9-6+,11-7+
InChIKeyPZCIGGQLMHFYTD-QHAIXMIYSA-N
MW180.25 g/mol
LogP1.53
Rot. Bonds4

About 2-methyl-N-[(3E)-5-methyliminopenta-1,3-dien-3-yl]propanamide

2-methyl-N-[(3E)-5-methyliminopenta-1,3-dien-3-yl]propanamide (PubChem CID 175614047) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-methyl-N-[(3E)-5-methyliminopenta-1,3-dien-3-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(3E)-5-methyliminopenta-1,3-dien-3-yl]propanamide
PubChem CID175614047
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-methyl-N-[(3E)-5-methyliminopenta-1,3-dien-3-yl]propanamide
SMILESC=C/C(=C\C=N\C)NC(=O)C(C)C
InChIInChI=1S/C10H16N2O/c1-5-9(6-7-11-4)12-10(13)8(2)3/h5-8H,1H2,2-4H3,(H,12,13)/b9-6+,11-7+
InChIKeyPZCIGGQLMHFYTD-QHAIXMIYSA-N
XLogP1.53
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3E)-5-methyliminopenta-1,3-dien-3-yl]propanamide?
The IUPAC name of 2-methyl-N-[(3E)-5-methyliminopenta-1,3-dien-3-yl]propanamide (CID 175614047) is 2-methyl-N-[(3E)-5-methyliminopenta-1,3-dien-3-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[(3E)-5-methyliminopenta-1,3-dien-3-yl]propanamide?
The canonical SMILES for 2-methyl-N-[(3E)-5-methyliminopenta-1,3-dien-3-yl]propanamide is C=C/C(=C\C=N\C)NC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[(3E)-5-methyliminopenta-1,3-dien-3-yl]propanamide?
The InChIKey is PZCIGGQLMHFYTD-QHAIXMIYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-5-9(6-7-11-4)12-10(13)8(2)3/h5-8H,1H2,2-4H3,(H,12,13)/b9-6+,11-7+.
What are the key properties of 2-methyl-N-[(3E)-5-methyliminopenta-1,3-dien-3-yl]propanamide?
2-methyl-N-[(3E)-5-methyliminopenta-1,3-dien-3-yl]propanamide has a molecular weight of 180.25 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3E)-5-methyliminopenta-1,3-dien-3-yl]propanamide is sourced from PubChem (CID 175614047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).