N-[(2E)-2-ethenyl-3,5-dimethylhexa-2,4-dienyl]formamide

C11H17NO — CID 143901803

IUPACN-[(2E)-2-ethenyl-3,5-dimethylhexa-2,4-dienyl]formamide
SMILESC=C/C(CNC=O)=C(/C)C=C(C)C
InChIInChI=1S/C11H17NO/c1-5-11(7-12-8-13)10(4)6-9(2)3/h5-6,8H,1,7H2,2-4H3,(H,12,13)/b11-10+
InChIKeyYRMTUWZUSHLIMG-ZHACJKMWSA-N
MW179.26 g/mol
LogP2.20
Rot. Bonds5

About N-[(2E)-2-ethenyl-3,5-dimethylhexa-2,4-dienyl]formamide

N-[(2E)-2-ethenyl-3,5-dimethylhexa-2,4-dienyl]formamide (PubChem CID 143901803) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N-[(2E)-2-ethenyl-3,5-dimethylhexa-2,4-dienyl]formamide.

Molecular Properties

Compound NameN-[(2E)-2-ethenyl-3,5-dimethylhexa-2,4-dienyl]formamide
PubChem CID143901803
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN-[(2E)-2-ethenyl-3,5-dimethylhexa-2,4-dienyl]formamide
SMILESC=C/C(CNC=O)=C(/C)C=C(C)C
InChIInChI=1S/C11H17NO/c1-5-11(7-12-8-13)10(4)6-9(2)3/h5-6,8H,1,7H2,2-4H3,(H,12,13)/b11-10+
InChIKeyYRMTUWZUSHLIMG-ZHACJKMWSA-N
XLogP2.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.20
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-[(2R,3E,5E)-6-fluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]formamide
CID 88935034
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-[(4-fluorocyclohepta-1,3,5-trien-1-yl)methyl]formamide
CID 126690292
ethane;N-[(4Z,6E)-8,8,8-trifluoro-3-methylideneocta-4,6-dienyl]formamide
CID 144442015
N-[(Z,3E)-2-fluoro-3-prop-2-enylidenehept-4-enyl]formamide
CID 144740320
N-[(2E,3Z)-2-butylidene-5-(trifluoromethyl)hexa-3,5-dienyl]formamide
CID 170060818
N-[(6-fluoro-5-methylcyclohexa-1,5-dien-1-yl)methyl]formamide
CID 171558050
N-[(2E)-3,7-dimethylocta-2,6-dienyl]formamide
CID 58719512
N-[(2E,4Z)-3-(trifluoromethyl)hexa-2,4-dienyl]formamide
CID 142104797
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

Frequently Asked Questions

What is the IUPAC name of N-[(2E)-2-ethenyl-3,5-dimethylhexa-2,4-dienyl]formamide?
The IUPAC name of N-[(2E)-2-ethenyl-3,5-dimethylhexa-2,4-dienyl]formamide (CID 143901803) is N-[(2E)-2-ethenyl-3,5-dimethylhexa-2,4-dienyl]formamide.
What is the SMILES notation for N-[(2E)-2-ethenyl-3,5-dimethylhexa-2,4-dienyl]formamide?
The canonical SMILES for N-[(2E)-2-ethenyl-3,5-dimethylhexa-2,4-dienyl]formamide is C=C/C(CNC=O)=C(/C)C=C(C)C.
What is the InChIKey of N-[(2E)-2-ethenyl-3,5-dimethylhexa-2,4-dienyl]formamide?
The InChIKey is YRMTUWZUSHLIMG-ZHACJKMWSA-N. The full InChI is InChI=1S/C11H17NO/c1-5-11(7-12-8-13)10(4)6-9(2)3/h5-6,8H,1,7H2,2-4H3,(H,12,13)/b11-10+.
What are the key properties of N-[(2E)-2-ethenyl-3,5-dimethylhexa-2,4-dienyl]formamide?
N-[(2E)-2-ethenyl-3,5-dimethylhexa-2,4-dienyl]formamide has a molecular weight of 179.26 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-2-ethenyl-3,5-dimethylhexa-2,4-dienyl]formamide is sourced from PubChem (CID 143901803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).