5-methoxycyclohepta-1,4,6-trien-1-amine

C8H11NO — CID 142959462

IUPAC5-methoxycyclohepta-1,4,6-trien-1-amine
SMILESCOC1=CCC=C(N)C=C1
InChIInChI=1S/C8H11NO/c1-10-8-4-2-3-7(9)5-6-8/h3-6H,2,9H2,1H3
InChIKeyPGEZNBBMZRBNGX-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.32
Rot. Bonds1

About 5-methoxycyclohepta-1,4,6-trien-1-amine

5-methoxycyclohepta-1,4,6-trien-1-amine (PubChem CID 142959462) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 5-methoxycyclohepta-1,4,6-trien-1-amine.

Molecular Properties

Compound Name5-methoxycyclohepta-1,4,6-trien-1-amine
PubChem CID142959462
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name5-methoxycyclohepta-1,4,6-trien-1-amine
SMILESCOC1=CCC=C(N)C=C1
InChIInChI=1S/C8H11NO/c1-10-8-4-2-3-7(9)5-6-8/h3-6H,2,9H2,1H3
InChIKeyPGEZNBBMZRBNGX-UHFFFAOYSA-N
XLogP1.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxycyclohepta-1,4,6-trien-1-amine?
The IUPAC name of 5-methoxycyclohepta-1,4,6-trien-1-amine (CID 142959462) is 5-methoxycyclohepta-1,4,6-trien-1-amine.
What is the SMILES notation for 5-methoxycyclohepta-1,4,6-trien-1-amine?
The canonical SMILES for 5-methoxycyclohepta-1,4,6-trien-1-amine is COC1=CCC=C(N)C=C1.
What is the InChIKey of 5-methoxycyclohepta-1,4,6-trien-1-amine?
The InChIKey is PGEZNBBMZRBNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-10-8-4-2-3-7(9)5-6-8/h3-6H,2,9H2,1H3.
What are the key properties of 5-methoxycyclohepta-1,4,6-trien-1-amine?
5-methoxycyclohepta-1,4,6-trien-1-amine has a molecular weight of 137.18 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxycyclohepta-1,4,6-trien-1-amine is sourced from PubChem (CID 142959462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).