(E)-cyclohexa-2,4-dien-1-ylidenemethanamine

C7H9N — CID 18518811

IUPAC(E)-cyclohexa-2,4-dien-1-ylidenemethanamine
SMILESN/C=C1/C=CC=CC1
InChIInChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-4,6H,5,8H2/b7-6-
InChIKeyOQSRMUINIWSZGC-SREVYHEPSA-N
MW107.16 g/mol
LogP1.35
Rot. Bonds

About (E)-cyclohexa-2,4-dien-1-ylidenemethanamine

(E)-cyclohexa-2,4-dien-1-ylidenemethanamine (PubChem CID 18518811) has the molecular formula C7H9N and a molecular weight of 107.16 g/mol. Its IUPAC name is (E)-cyclohexa-2,4-dien-1-ylidenemethanamine.

Molecular Properties

Compound Name(E)-cyclohexa-2,4-dien-1-ylidenemethanamine
PubChem CID18518811
Molecular FormulaC7H9N
Molecular Weight107.16 g/mol
Exact Mass107.07
IUPAC Name(E)-cyclohexa-2,4-dien-1-ylidenemethanamine
SMILESN/C=C1/C=CC=CC1
InChIInChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-4,6H,5,8H2/b7-6-
InChIKeyOQSRMUINIWSZGC-SREVYHEPSA-N
XLogP1.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.16
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-cyclohexa-2,4-dien-1-ylidenemethanamine?
The IUPAC name of (E)-cyclohexa-2,4-dien-1-ylidenemethanamine (CID 18518811) is (E)-cyclohexa-2,4-dien-1-ylidenemethanamine.
What is the SMILES notation for (E)-cyclohexa-2,4-dien-1-ylidenemethanamine?
The canonical SMILES for (E)-cyclohexa-2,4-dien-1-ylidenemethanamine is N/C=C1/C=CC=CC1.
What is the InChIKey of (E)-cyclohexa-2,4-dien-1-ylidenemethanamine?
The InChIKey is OQSRMUINIWSZGC-SREVYHEPSA-N. The full InChI is InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-4,6H,5,8H2/b7-6-.
What are the key properties of (E)-cyclohexa-2,4-dien-1-ylidenemethanamine?
(E)-cyclohexa-2,4-dien-1-ylidenemethanamine has a molecular weight of 107.16 g/mol, XLogP of 1.35, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-cyclohexa-2,4-dien-1-ylidenemethanamine is sourced from PubChem (CID 18518811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).