N-[(3E)-hexa-1,3,5-trien-3-yl]-N-methylpropanamide

C10H15NO — CID 142030407

IUPACN-[(3E)-hexa-1,3,5-trien-3-yl]-N-methylpropanamide
SMILESC=C/C=C(\C=C)N(C)C(=O)CC
InChIInChI=1S/C10H15NO/c1-5-8-9(6-2)11(4)10(12)7-3/h5-6,8H,1-2,7H2,3-4H3/b9-8+
InChIKeyXUMVHSGTTWNOPT-CMDGGOBGSA-N
MW165.24 g/mol
LogP2.11
Rot. Bonds4

About N-[(3E)-hexa-1,3,5-trien-3-yl]-N-methylpropanamide

N-[(3E)-hexa-1,3,5-trien-3-yl]-N-methylpropanamide (PubChem CID 142030407) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is N-[(3E)-hexa-1,3,5-trien-3-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[(3E)-hexa-1,3,5-trien-3-yl]-N-methylpropanamide
PubChem CID142030407
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC NameN-[(3E)-hexa-1,3,5-trien-3-yl]-N-methylpropanamide
SMILESC=C/C=C(\C=C)N(C)C(=O)CC
InChIInChI=1S/C10H15NO/c1-5-8-9(6-2)11(4)10(12)7-3/h5-6,8H,1-2,7H2,3-4H3/b9-8+
InChIKeyXUMVHSGTTWNOPT-CMDGGOBGSA-N
XLogP2.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3E)-hexa-1,3,5-trien-3-yl]-N-methylpropanamide?
The IUPAC name of N-[(3E)-hexa-1,3,5-trien-3-yl]-N-methylpropanamide (CID 142030407) is N-[(3E)-hexa-1,3,5-trien-3-yl]-N-methylpropanamide.
What is the SMILES notation for N-[(3E)-hexa-1,3,5-trien-3-yl]-N-methylpropanamide?
The canonical SMILES for N-[(3E)-hexa-1,3,5-trien-3-yl]-N-methylpropanamide is C=C/C=C(\C=C)N(C)C(=O)CC.
What is the InChIKey of N-[(3E)-hexa-1,3,5-trien-3-yl]-N-methylpropanamide?
The InChIKey is XUMVHSGTTWNOPT-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H15NO/c1-5-8-9(6-2)11(4)10(12)7-3/h5-6,8H,1-2,7H2,3-4H3/b9-8+.
What are the key properties of N-[(3E)-hexa-1,3,5-trien-3-yl]-N-methylpropanamide?
N-[(3E)-hexa-1,3,5-trien-3-yl]-N-methylpropanamide has a molecular weight of 165.24 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-hexa-1,3,5-trien-3-yl]-N-methylpropanamide is sourced from PubChem (CID 142030407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).