N-[(2E,4Z)-2-ethenylhepta-2,4,6-trienyl]formamide

C10H13NO — CID 126633431

IUPACN-[(2E,4Z)-2-ethenylhepta-2,4,6-trienyl]formamide
SMILESC=C/C=C\C=C(/C=C)CNC=O
InChIInChI=1S/C10H13NO/c1-3-5-6-7-10(4-2)8-11-9-12/h3-7,9H,1-2,8H2,(H,11,12)/b6-5-,10-7+
InChIKeyGHPZBJDPNGIBSK-ZZWPSLBBSA-N
MW163.22 g/mol
LogP1.59
Rot. Bonds6

About N-[(2E,4Z)-2-ethenylhepta-2,4,6-trienyl]formamide

N-[(2E,4Z)-2-ethenylhepta-2,4,6-trienyl]formamide (PubChem CID 126633431) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is N-[(2E,4Z)-2-ethenylhepta-2,4,6-trienyl]formamide.

Molecular Properties

Compound NameN-[(2E,4Z)-2-ethenylhepta-2,4,6-trienyl]formamide
PubChem CID126633431
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC NameN-[(2E,4Z)-2-ethenylhepta-2,4,6-trienyl]formamide
SMILESC=C/C=C\C=C(/C=C)CNC=O
InChIInChI=1S/C10H13NO/c1-3-5-6-7-10(4-2)8-11-9-12/h3-7,9H,1-2,8H2,(H,11,12)/b6-5-,10-7+
InChIKeyGHPZBJDPNGIBSK-ZZWPSLBBSA-N
XLogP1.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[[(4S)-4-fluorocyclohexa-1,5-dien-1-yl]methyl]formamide
CID 117997701
N-(2-ethylidene-5-fluorohexa-3,5-dienyl)formamide
CID 123556775
N-[(2Z)-2-(fluoromethylidene)but-3-enyl]formamide
CID 124181229
N-[(4-fluorocyclohepta-1,3,5-trien-1-yl)methyl]formamide
CID 126690292
N-[(5-fluorocyclohepta-1,4,6-trien-1-yl)methyl]formamide
CID 142801507
N-[(5-fluorocyclohepta-1,3,5-trien-1-yl)methyl]formamide
CID 143389094
N-[(2Z,4E)-2-ethenyl-3,5-difluorohexa-2,4-dienyl]formamide
CID 143428333
N-[(2E,4E)-2-ethenyl-6,6,6-trifluoro-5-methylhexa-2,4-dienyl]formamide
CID 143836467
N-[(2E,3E)-2-ethylidene-4-(trifluoromethyl)hexa-3,5-dienyl]formamide
CID 144312855
N-[(2,4-difluorocyclohexa-1,5-dien-1-yl)methyl]formamide
CID 144877254
N-[(6-fluorocyclohexa-1,5-dien-1-yl)methyl]formamide
CID 153550782
N-[(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl]formamide
CID 164902160

Frequently Asked Questions

What is the IUPAC name of N-[(2E,4Z)-2-ethenylhepta-2,4,6-trienyl]formamide?
The IUPAC name of N-[(2E,4Z)-2-ethenylhepta-2,4,6-trienyl]formamide (CID 126633431) is N-[(2E,4Z)-2-ethenylhepta-2,4,6-trienyl]formamide.
What is the SMILES notation for N-[(2E,4Z)-2-ethenylhepta-2,4,6-trienyl]formamide?
The canonical SMILES for N-[(2E,4Z)-2-ethenylhepta-2,4,6-trienyl]formamide is C=C/C=C\C=C(/C=C)CNC=O.
What is the InChIKey of N-[(2E,4Z)-2-ethenylhepta-2,4,6-trienyl]formamide?
The InChIKey is GHPZBJDPNGIBSK-ZZWPSLBBSA-N. The full InChI is InChI=1S/C10H13NO/c1-3-5-6-7-10(4-2)8-11-9-12/h3-7,9H,1-2,8H2,(H,11,12)/b6-5-,10-7+.
What are the key properties of N-[(2E,4Z)-2-ethenylhepta-2,4,6-trienyl]formamide?
N-[(2E,4Z)-2-ethenylhepta-2,4,6-trienyl]formamide has a molecular weight of 163.22 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z)-2-ethenylhepta-2,4,6-trienyl]formamide is sourced from PubChem (CID 126633431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).