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

C9H13NO — CID 122651584

IUPACN-[(3E)-hexa-1,3,5-trien-3-yl]propanamide
SMILESC=C/C=C(\C=C)NC(=O)CC
InChIInChI=1S/C9H13NO/c1-4-7-8(5-2)10-9(11)6-3/h4-5,7H,1-2,6H2,3H3,(H,10,11)/b8-7+
InChIKeyNMETWXGGSAHXMX-BQYQJAHWSA-N
MW151.21 g/mol
LogP1.77
Rot. Bonds4

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

N-[(3E)-hexa-1,3,5-trien-3-yl]propanamide (PubChem CID 122651584) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is N-[(3E)-hexa-1,3,5-trien-3-yl]propanamide.

Molecular Properties

Compound NameN-[(3E)-hexa-1,3,5-trien-3-yl]propanamide
PubChem CID122651584
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC NameN-[(3E)-hexa-1,3,5-trien-3-yl]propanamide
SMILESC=C/C=C(\C=C)NC(=O)CC
InChIInChI=1S/C9H13NO/c1-4-7-8(5-2)10-9(11)6-3/h4-5,7H,1-2,6H2,3H3,(H,10,11)/b8-7+
InChIKeyNMETWXGGSAHXMX-BQYQJAHWSA-N
XLogP1.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.77
H-Bond Donors ≤ 51
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]propanamide?
The IUPAC name of N-[(3E)-hexa-1,3,5-trien-3-yl]propanamide (CID 122651584) is N-[(3E)-hexa-1,3,5-trien-3-yl]propanamide.
What is the SMILES notation for N-[(3E)-hexa-1,3,5-trien-3-yl]propanamide?
The canonical SMILES for N-[(3E)-hexa-1,3,5-trien-3-yl]propanamide is C=C/C=C(\C=C)NC(=O)CC.
What is the InChIKey of N-[(3E)-hexa-1,3,5-trien-3-yl]propanamide?
The InChIKey is NMETWXGGSAHXMX-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H13NO/c1-4-7-8(5-2)10-9(11)6-3/h4-5,7H,1-2,6H2,3H3,(H,10,11)/b8-7+.
What are the key properties of N-[(3E)-hexa-1,3,5-trien-3-yl]propanamide?
N-[(3E)-hexa-1,3,5-trien-3-yl]propanamide has a molecular weight of 151.21 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 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]propanamide is sourced from PubChem (CID 122651584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).