N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]propanamide

C11H17NO — CID 89366304

IUPACN-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]propanamide
SMILESC=C(C)/C=C\C(=C/C)NC(=O)CC
InChIInChI=1S/C11H17NO/c1-5-10(8-7-9(3)4)12-11(13)6-2/h5,7-8H,3,6H2,1-2,4H3,(H,12,13)/b8-7-,10-5+
InChIKeyGIIJLGOGCMEVGO-GBLFQTLVSA-N
MW179.26 g/mol
LogP2.55
Rot. Bonds4

About N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]propanamide

N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]propanamide (PubChem CID 89366304) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]propanamide.

Molecular Properties

Compound NameN-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]propanamide
PubChem CID89366304
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]propanamide
SMILESC=C(C)/C=C\C(=C/C)NC(=O)CC
InChIInChI=1S/C11H17NO/c1-5-10(8-7-9(3)4)12-11(13)6-2/h5,7-8H,3,6H2,1-2,4H3,(H,12,13)/b8-7-,10-5+
InChIKeyGIIJLGOGCMEVGO-GBLFQTLVSA-N
XLogP2.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.55
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-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]propanamide?
The IUPAC name of N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]propanamide (CID 89366304) is N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]propanamide.
What is the SMILES notation for N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]propanamide?
The canonical SMILES for N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]propanamide is C=C(C)/C=C\C(=C/C)NC(=O)CC.
What is the InChIKey of N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]propanamide?
The InChIKey is GIIJLGOGCMEVGO-GBLFQTLVSA-N. The full InChI is InChI=1S/C11H17NO/c1-5-10(8-7-9(3)4)12-11(13)6-2/h5,7-8H,3,6H2,1-2,4H3,(H,12,13)/b8-7-,10-5+.
What are the key properties of N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]propanamide?
N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]propanamide has a molecular weight of 179.26 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]propanamide is sourced from PubChem (CID 89366304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).