N-cyclohepta-1,4,6-trien-1-ylformamide

C8H9NO — CID 134445514

IUPACN-cyclohepta-1,4,6-trien-1-ylformamide
SMILESO=CNC1=CCC=CC=C1
InChIInChI=1S/C8H9NO/c10-7-9-8-5-3-1-2-4-6-8/h1-3,5-7H,4H2,(H,9,10)
InChIKeyLLCZFWYDPLBDQU-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.13
Rot. Bonds2

About N-cyclohepta-1,4,6-trien-1-ylformamide

N-cyclohepta-1,4,6-trien-1-ylformamide (PubChem CID 134445514) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is N-cyclohepta-1,4,6-trien-1-ylformamide.

Molecular Properties

Compound NameN-cyclohepta-1,4,6-trien-1-ylformamide
PubChem CID134445514
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC NameN-cyclohepta-1,4,6-trien-1-ylformamide
SMILESO=CNC1=CCC=CC=C1
InChIInChI=1S/C8H9NO/c10-7-9-8-5-3-1-2-4-6-8/h1-3,5-7H,4H2,(H,9,10)
InChIKeyLLCZFWYDPLBDQU-UHFFFAOYSA-N
XLogP1.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohepta-1,4,6-trien-1-ylformamide?
The IUPAC name of N-cyclohepta-1,4,6-trien-1-ylformamide (CID 134445514) is N-cyclohepta-1,4,6-trien-1-ylformamide.
What is the SMILES notation for N-cyclohepta-1,4,6-trien-1-ylformamide?
The canonical SMILES for N-cyclohepta-1,4,6-trien-1-ylformamide is O=CNC1=CCC=CC=C1.
What is the InChIKey of N-cyclohepta-1,4,6-trien-1-ylformamide?
The InChIKey is LLCZFWYDPLBDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c10-7-9-8-5-3-1-2-4-6-8/h1-3,5-7H,4H2,(H,9,10).
What are the key properties of N-cyclohepta-1,4,6-trien-1-ylformamide?
N-cyclohepta-1,4,6-trien-1-ylformamide has a molecular weight of 135.17 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohepta-1,4,6-trien-1-ylformamide is sourced from PubChem (CID 134445514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).