(6-methoxycyclohexa-1,3,4-trien-1-yl)methanamine

C8H11NO — CID 89115899

IUPAC(6-methoxycyclohexa-1,3,4-trien-1-yl)methanamine
SMILESCOC1C=C=CC=C1CN
InChIInChI=1S/C8H11NO/c1-10-8-5-3-2-4-7(8)6-9/h2,4-5,8H,6,9H2,1H3
InChIKeyWEWCOQYIYHHHCF-UHFFFAOYSA-N
MW137.18 g/mol
LogP0.61
Rot. Bonds2

About (6-methoxycyclohexa-1,3,4-trien-1-yl)methanamine

(6-methoxycyclohexa-1,3,4-trien-1-yl)methanamine (PubChem CID 89115899) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is (6-methoxycyclohexa-1,3,4-trien-1-yl)methanamine.

Molecular Properties

Compound Name(6-methoxycyclohexa-1,3,4-trien-1-yl)methanamine
PubChem CID89115899
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name(6-methoxycyclohexa-1,3,4-trien-1-yl)methanamine
SMILESCOC1C=C=CC=C1CN
InChIInChI=1S/C8H11NO/c1-10-8-5-3-2-4-7(8)6-9/h2,4-5,8H,6,9H2,1H3
InChIKeyWEWCOQYIYHHHCF-UHFFFAOYSA-N
XLogP0.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-methoxycyclohexa-1,3,4-trien-1-yl)methanamine?
The IUPAC name of (6-methoxycyclohexa-1,3,4-trien-1-yl)methanamine (CID 89115899) is (6-methoxycyclohexa-1,3,4-trien-1-yl)methanamine.
What is the SMILES notation for (6-methoxycyclohexa-1,3,4-trien-1-yl)methanamine?
The canonical SMILES for (6-methoxycyclohexa-1,3,4-trien-1-yl)methanamine is COC1C=C=CC=C1CN.
What is the InChIKey of (6-methoxycyclohexa-1,3,4-trien-1-yl)methanamine?
The InChIKey is WEWCOQYIYHHHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-10-8-5-3-2-4-7(8)6-9/h2,4-5,8H,6,9H2,1H3.
What are the key properties of (6-methoxycyclohexa-1,3,4-trien-1-yl)methanamine?
(6-methoxycyclohexa-1,3,4-trien-1-yl)methanamine has a molecular weight of 137.18 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxycyclohexa-1,3,4-trien-1-yl)methanamine is sourced from PubChem (CID 89115899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).