(2E,4E)-N-prop-2-enylhexa-2,4-dienamide

C9H13NO — CID 12943287

IUPAC(2E,4E)-N-prop-2-enylhexa-2,4-dienamide
SMILESC=CCNC(=O)/C=C/C=C/C
InChIInChI=1S/C9H13NO/c1-3-5-6-7-9(11)10-8-4-2/h3-7H,2,8H2,1H3,(H,10,11)/b5-3+,7-6+
InChIKeyLEKCAJXPLOCIGU-TWTPFVCWSA-N
MW151.21 g/mol
LogP1.42
Rot. Bonds4

About (2E,4E)-N-prop-2-enylhexa-2,4-dienamide

(2E,4E)-N-prop-2-enylhexa-2,4-dienamide (PubChem CID 12943287) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (2E,4E)-N-prop-2-enylhexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-prop-2-enylhexa-2,4-dienamide
PubChem CID12943287
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(2E,4E)-N-prop-2-enylhexa-2,4-dienamide
SMILESC=CCNC(=O)/C=C/C=C/C
InChIInChI=1S/C9H13NO/c1-3-5-6-7-9(11)10-8-4-2/h3-7H,2,8H2,1H3,(H,10,11)/b5-3+,7-6+
InChIKeyLEKCAJXPLOCIGU-TWTPFVCWSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

ethane;N-prop-2-enylprop-2-enamide
CID 142535548
N-(3-hydroxy-2-methylpropyl)hexa-2,4-dienamide
CID 77055644
ethenol;N-prop-2-enylprop-2-enamide
CID 88846304
(2E)-N-(2-amino-2-ethylbutyl)hexa-2,4-dienamide
CID 81484728
(2E,4E)-N-(3-methoxypropyl)hexa-2,4-dienamide
CID 110839216
N-(2,3-dihydroxy-2-methylpropyl)hexa-2,4-dienamide
CID 77113943
N-[2-(cyclopropylamino)ethyl]hexa-2,4-dienamide
CID 76948154
(2E,4E)-N-benzylhexa-2,4-dienamide
CID 15743128
hexa-2,4-dienoic acid;prop-1-ene
CID 158512796
octa-1,4,6-trien-3-one
CID 85299948
(E)-N-pent-4-enylbut-2-enamide
CID 122404178
(Z)-2-hydroxy-N-prop-2-enylbut-2-enamide
CID 87714172

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-prop-2-enylhexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-prop-2-enylhexa-2,4-dienamide (CID 12943287) is (2E,4E)-N-prop-2-enylhexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-prop-2-enylhexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-prop-2-enylhexa-2,4-dienamide is C=CCNC(=O)/C=C/C=C/C.
What is the InChIKey of (2E,4E)-N-prop-2-enylhexa-2,4-dienamide?
The InChIKey is LEKCAJXPLOCIGU-TWTPFVCWSA-N. The full InChI is InChI=1S/C9H13NO/c1-3-5-6-7-9(11)10-8-4-2/h3-7H,2,8H2,1H3,(H,10,11)/b5-3+,7-6+.
What are the key properties of (2E,4E)-N-prop-2-enylhexa-2,4-dienamide?
(2E,4E)-N-prop-2-enylhexa-2,4-dienamide has a molecular weight of 151.21 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-prop-2-enylhexa-2,4-dienamide is sourced from PubChem (CID 12943287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).