(3E)-2-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]-3-[(Z)-prop-1-enyl]hexa-3,5-dienamide

C16H22N2O — CID 142824224

IUPAC(3E)-2-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]-3-[(Z)-prop-1-enyl]hexa-3,5-dienamide
SMILESC=C/C=C(\C=C/C)NC(C(N)=O)C(/C=C\C)=C/C=C
InChIInChI=1S/C16H22N2O/c1-5-9-13(10-6-2)15(16(17)19)18-14(11-7-3)12-8-4/h5-12,15,18H,1,3H2,2,4H3,(H2,17,19)/b10-6-,12-8-,13-9+,14-11+
InChIKeyFMHMYYYKUZABIH-PNLGLICCSA-N
MW258.37 g/mol
LogP2.76
Rot. Bonds8

About (3E)-2-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]-3-[(Z)-prop-1-enyl]hexa-3,5-dienamide

(3E)-2-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]-3-[(Z)-prop-1-enyl]hexa-3,5-dienamide (PubChem CID 142824224) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is (3E)-2-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]-3-[(Z)-prop-1-enyl]hexa-3,5-dienamide.

Molecular Properties

Compound Name(3E)-2-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]-3-[(Z)-prop-1-enyl]hexa-3,5-dienamide
PubChem CID142824224
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name(3E)-2-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]-3-[(Z)-prop-1-enyl]hexa-3,5-dienamide
SMILESC=C/C=C(\C=C/C)NC(C(N)=O)C(/C=C\C)=C/C=C
InChIInChI=1S/C16H22N2O/c1-5-9-13(10-6-2)15(16(17)19)18-14(11-7-3)12-8-4/h5-12,15,18H,1,3H2,2,4H3,(H2,17,19)/b10-6-,12-8-,13-9+,14-11+
InChIKeyFMHMYYYKUZABIH-PNLGLICCSA-N
XLogP2.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;[(3E,5Z)-hepta-1,3,5-trien-4-yl]hydrazine
CID 142089617
ethane;(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine
CID 142253668
(3Z,5Z)-hepta-1,3,5-trien-4-amine
CID 171106725
N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]thiohydroxylamine
CID 143724474
(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol
CID 87112963
N,N-dimethylmethanamine;(3E,5Z)-hepta-1,3,5-trien-4-amine
CID 144734718
(3E,5Z)-N-iodohepta-1,3,5-trien-4-amine
CID 144727165
1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]urea
CID 166820830
N-[(3E)-2-hydroxy-3-[(Z)-prop-1-enyl]hexa-3,5-dienyl]formamide
CID 164901972
(2E,3E)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-hydroxy-2-prop-2-enylidenehexa-3,5-dienamide
CID 143020297
ethane;(3E,6E)-4-ethenyl-6-[(Z)-prop-1-enyl]nona-1,3,6,8-tetraen-5-ol
CID 156838266
ethane;4-methyl-N-[(4E)-2-oxo-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-yl]benzenesulfonamide
CID 143418576

Frequently Asked Questions

What is the IUPAC name of (3E)-2-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]-3-[(Z)-prop-1-enyl]hexa-3,5-dienamide?
The IUPAC name of (3E)-2-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]-3-[(Z)-prop-1-enyl]hexa-3,5-dienamide (CID 142824224) is (3E)-2-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]-3-[(Z)-prop-1-enyl]hexa-3,5-dienamide.
What is the SMILES notation for (3E)-2-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]-3-[(Z)-prop-1-enyl]hexa-3,5-dienamide?
The canonical SMILES for (3E)-2-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]-3-[(Z)-prop-1-enyl]hexa-3,5-dienamide is C=C/C=C(\C=C/C)NC(C(N)=O)C(/C=C\C)=C/C=C.
What is the InChIKey of (3E)-2-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]-3-[(Z)-prop-1-enyl]hexa-3,5-dienamide?
The InChIKey is FMHMYYYKUZABIH-PNLGLICCSA-N. The full InChI is InChI=1S/C16H22N2O/c1-5-9-13(10-6-2)15(16(17)19)18-14(11-7-3)12-8-4/h5-12,15,18H,1,3H2,2,4H3,(H2,17,19)/b10-6-,12-8-,13-9+,14-11+.
What are the key properties of (3E)-2-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]-3-[(Z)-prop-1-enyl]hexa-3,5-dienamide?
(3E)-2-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]-3-[(Z)-prop-1-enyl]hexa-3,5-dienamide has a molecular weight of 258.37 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]-3-[(Z)-prop-1-enyl]hexa-3,5-dienamide is sourced from PubChem (CID 142824224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).