N-[2-[(1Z,3E)-3-ethenyl-4-methylhexa-1,3,5-trienyl]phenyl]formamide

C16H17NO — CID 145359628

IUPACN-[2-[(1Z,3E)-3-ethenyl-4-methylhexa-1,3,5-trienyl]phenyl]formamide
SMILESC=C/C(C)=C(C=C)/C=C\c1ccccc1NC=O
InChIInChI=1S/C16H17NO/c1-4-13(3)14(5-2)10-11-15-8-6-7-9-16(15)17-12-18/h4-12H,1-2H2,3H3,(H,17,18)/b11-10-,14-13+
InChIKeyYAJOCIPMMMAKIK-SEGPTZFDSA-N
MW239.32 g/mol
LogP3.96
Rot. Bonds6

About N-[2-[(1Z,3E)-3-ethenyl-4-methylhexa-1,3,5-trienyl]phenyl]formamide

N-[2-[(1Z,3E)-3-ethenyl-4-methylhexa-1,3,5-trienyl]phenyl]formamide (PubChem CID 145359628) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[2-[(1Z,3E)-3-ethenyl-4-methylhexa-1,3,5-trienyl]phenyl]formamide.

Molecular Properties

Compound NameN-[2-[(1Z,3E)-3-ethenyl-4-methylhexa-1,3,5-trienyl]phenyl]formamide
PubChem CID145359628
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC NameN-[2-[(1Z,3E)-3-ethenyl-4-methylhexa-1,3,5-trienyl]phenyl]formamide
SMILESC=C/C(C)=C(C=C)/C=C\c1ccccc1NC=O
InChIInChI=1S/C16H17NO/c1-4-13(3)14(5-2)10-11-15-8-6-7-9-16(15)17-12-18/h4-12H,1-2H2,3H3,(H,17,18)/b11-10-,14-13+
InChIKeyYAJOCIPMMMAKIK-SEGPTZFDSA-N
XLogP3.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.96
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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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1Z,3E)-3-ethenyl-4-methylhexa-1,3,5-trienyl]phenyl]formamide?
The IUPAC name of N-[2-[(1Z,3E)-3-ethenyl-4-methylhexa-1,3,5-trienyl]phenyl]formamide (CID 145359628) is N-[2-[(1Z,3E)-3-ethenyl-4-methylhexa-1,3,5-trienyl]phenyl]formamide.
What is the SMILES notation for N-[2-[(1Z,3E)-3-ethenyl-4-methylhexa-1,3,5-trienyl]phenyl]formamide?
The canonical SMILES for N-[2-[(1Z,3E)-3-ethenyl-4-methylhexa-1,3,5-trienyl]phenyl]formamide is C=C/C(C)=C(C=C)/C=C\c1ccccc1NC=O.
What is the InChIKey of N-[2-[(1Z,3E)-3-ethenyl-4-methylhexa-1,3,5-trienyl]phenyl]formamide?
The InChIKey is YAJOCIPMMMAKIK-SEGPTZFDSA-N. The full InChI is InChI=1S/C16H17NO/c1-4-13(3)14(5-2)10-11-15-8-6-7-9-16(15)17-12-18/h4-12H,1-2H2,3H3,(H,17,18)/b11-10-,14-13+.
What are the key properties of N-[2-[(1Z,3E)-3-ethenyl-4-methylhexa-1,3,5-trienyl]phenyl]formamide?
N-[2-[(1Z,3E)-3-ethenyl-4-methylhexa-1,3,5-trienyl]phenyl]formamide has a molecular weight of 239.32 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1Z,3E)-3-ethenyl-4-methylhexa-1,3,5-trienyl]phenyl]formamide is sourced from PubChem (CID 145359628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).