(2E,4Z)-N,2-bis(prop-1-en-2-yl)hexa-2,4-dienamide

C12H17NO — CID 142187285

IUPAC(2E,4Z)-N,2-bis(prop-1-en-2-yl)hexa-2,4-dienamide
SMILESC=C(C)NC(=O)/C(=C/C=C\C)C(=C)C
InChIInChI=1S/C12H17NO/c1-6-7-8-11(9(2)3)12(14)13-10(4)5/h6-8H,2,4H2,1,3,5H3,(H,13,14)/b7-6-,11-8+
InChIKeyYWKJHJQAAWIWKW-BQGCWICQSA-N
MW191.27 g/mol
LogP2.71
Rot. Bonds4

About (2E,4Z)-N,2-bis(prop-1-en-2-yl)hexa-2,4-dienamide

(2E,4Z)-N,2-bis(prop-1-en-2-yl)hexa-2,4-dienamide (PubChem CID 142187285) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (2E,4Z)-N,2-bis(prop-1-en-2-yl)hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4Z)-N,2-bis(prop-1-en-2-yl)hexa-2,4-dienamide
PubChem CID142187285
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(2E,4Z)-N,2-bis(prop-1-en-2-yl)hexa-2,4-dienamide
SMILESC=C(C)NC(=O)/C(=C/C=C\C)C(=C)C
InChIInChI=1S/C12H17NO/c1-6-7-8-11(9(2)3)12(14)13-10(4)5/h6-8H,2,4H2,1,3,5H3,(H,13,14)/b7-6-,11-8+
InChIKeyYWKJHJQAAWIWKW-BQGCWICQSA-N
XLogP2.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E,4Z)-N-(methylideneamino)-2-prop-1-en-2-ylhexa-2,4-dienamide
CID 176580787
6-propan-2-ylidene-5-prop-1-en-2-ylnona-2,4,7-triene
CID 123924693
N-[(3E,5Z)-2-methylimino-3-prop-1-en-2-ylhepta-3,5-dienyl]prop-2-enamide
CID 168906180
(2Z,3E)-2,3-bis[(E)-but-2-enylidene]butanedioic acid
CID 141155384
2-but-2-enylidenepropanedioic acid
CID 54310127
N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]acetamide
CID 130312596
(3Z,5Z)-N-prop-1-en-2-ylhepta-1,3,5-trien-2-amine
CID 137427597
(Z)-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-2-(1-nitroethenoxy)but-2-enamide
CID 129033040
(2E,4Z)-N-methyl-2-[(2E)-1-oxopenta-2,4-dien-2-yl]hexa-2,4-dienamide
CID 143603280
(E)-2-prop-1-en-2-ylbut-2-enoic acid
CID 89227365
(3E,5Z)-3-chloro-2-methylhepta-1,3,5-triene;ethane
CID 145128135
(3E,5Z)-2-methyl-N-(methylideneamino)hepta-1,3,5-trien-3-amine
CID 88960569

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-N,2-bis(prop-1-en-2-yl)hexa-2,4-dienamide?
The IUPAC name of (2E,4Z)-N,2-bis(prop-1-en-2-yl)hexa-2,4-dienamide (CID 142187285) is (2E,4Z)-N,2-bis(prop-1-en-2-yl)hexa-2,4-dienamide.
What is the SMILES notation for (2E,4Z)-N,2-bis(prop-1-en-2-yl)hexa-2,4-dienamide?
The canonical SMILES for (2E,4Z)-N,2-bis(prop-1-en-2-yl)hexa-2,4-dienamide is C=C(C)NC(=O)/C(=C/C=C\C)C(=C)C.
What is the InChIKey of (2E,4Z)-N,2-bis(prop-1-en-2-yl)hexa-2,4-dienamide?
The InChIKey is YWKJHJQAAWIWKW-BQGCWICQSA-N. The full InChI is InChI=1S/C12H17NO/c1-6-7-8-11(9(2)3)12(14)13-10(4)5/h6-8H,2,4H2,1,3,5H3,(H,13,14)/b7-6-,11-8+.
What are the key properties of (2E,4Z)-N,2-bis(prop-1-en-2-yl)hexa-2,4-dienamide?
(2E,4Z)-N,2-bis(prop-1-en-2-yl)hexa-2,4-dienamide has a molecular weight of 191.27 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N,2-bis(prop-1-en-2-yl)hexa-2,4-dienamide is sourced from PubChem (CID 142187285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).