4-formamido-N-[(3E)-hexa-1,3,5-trien-3-yl]pent-4-enamide

C12H16N2O2 — CID 142586076

IUPAC4-formamido-N-[(3E)-hexa-1,3,5-trien-3-yl]pent-4-enamide
SMILESC=C/C=C(\C=C)NC(=O)CCC(=C)NC=O
InChIInChI=1S/C12H16N2O2/c1-4-6-11(5-2)14-12(16)8-7-10(3)13-9-15/h4-6,9H,1-3,7-8H2,(H,13,15)(H,14,16)/b11-6+
InChIKeyBBXBVWZIQSLEEI-IZZDOVSWSA-N
MW220.27 g/mol
LogP1.40
Rot. Bonds8

About 4-formamido-N-[(3E)-hexa-1,3,5-trien-3-yl]pent-4-enamide

4-formamido-N-[(3E)-hexa-1,3,5-trien-3-yl]pent-4-enamide (PubChem CID 142586076) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-formamido-N-[(3E)-hexa-1,3,5-trien-3-yl]pent-4-enamide.

Molecular Properties

Compound Name4-formamido-N-[(3E)-hexa-1,3,5-trien-3-yl]pent-4-enamide
PubChem CID142586076
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name4-formamido-N-[(3E)-hexa-1,3,5-trien-3-yl]pent-4-enamide
SMILESC=C/C=C(\C=C)NC(=O)CCC(=C)NC=O
InChIInChI=1S/C12H16N2O2/c1-4-6-11(5-2)14-12(16)8-7-10(3)13-9-15/h4-6,9H,1-3,7-8H2,(H,13,15)(H,14,16)/b11-6+
InChIKeyBBXBVWZIQSLEEI-IZZDOVSWSA-N
XLogP1.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3E)-hexa-1,3,5-trien-3-yl]-2-methoxyacetamide
CID 143389329
N-[(3E)-hexa-1,3,5-trien-3-yl]propanamide;propane
CID 143474945
N-[(3E)-hexa-1,3,5-trien-3-yl]propanamide;molecular hydrogen
CID 143474971
[(3E)-hexa-1,3,5-trien-3-yl]urea
CID 143228458
3-amino-4,4,4-trifluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]butanamide
CID 143657670
4-formamido-N-heptylpent-4-enamide
CID 170630725
N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]formamide
CID 142315357
4-oxo-4-[[(2E)-penta-2,4-dien-2-yl]amino]butanoic acid
CID 166824221
2-[[(3E)-hexa-1,3,5-trien-3-yl]amino]acetic acid
CID 144971158
N-formylpent-4-enamide
CID 138584202
butan-2-one;ethane;N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]formamide
CID 142225178
1-[(3E)-hexa-1,3,5-trien-3-yl]-3-(2,2,4,4-tetramethylcyclobutyl)urea
CID 166980964

Frequently Asked Questions

What is the IUPAC name of 4-formamido-N-[(3E)-hexa-1,3,5-trien-3-yl]pent-4-enamide?
The IUPAC name of 4-formamido-N-[(3E)-hexa-1,3,5-trien-3-yl]pent-4-enamide (CID 142586076) is 4-formamido-N-[(3E)-hexa-1,3,5-trien-3-yl]pent-4-enamide.
What is the SMILES notation for 4-formamido-N-[(3E)-hexa-1,3,5-trien-3-yl]pent-4-enamide?
The canonical SMILES for 4-formamido-N-[(3E)-hexa-1,3,5-trien-3-yl]pent-4-enamide is C=C/C=C(\C=C)NC(=O)CCC(=C)NC=O.
What is the InChIKey of 4-formamido-N-[(3E)-hexa-1,3,5-trien-3-yl]pent-4-enamide?
The InChIKey is BBXBVWZIQSLEEI-IZZDOVSWSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-4-6-11(5-2)14-12(16)8-7-10(3)13-9-15/h4-6,9H,1-3,7-8H2,(H,13,15)(H,14,16)/b11-6+.
What are the key properties of 4-formamido-N-[(3E)-hexa-1,3,5-trien-3-yl]pent-4-enamide?
4-formamido-N-[(3E)-hexa-1,3,5-trien-3-yl]pent-4-enamide has a molecular weight of 220.27 g/mol, XLogP of 1.40, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formamido-N-[(3E)-hexa-1,3,5-trien-3-yl]pent-4-enamide is sourced from PubChem (CID 142586076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).