3-methoxycyclohexa-1,5-dien-1-amine

C7H11NO — CID 118444827

IUPAC3-methoxycyclohexa-1,5-dien-1-amine
SMILESCOC1C=C(N)C=CC1
InChIInChI=1S/C7H11NO/c1-9-7-4-2-3-6(8)5-7/h2-3,5,7H,4,8H2,1H3
InChIKeyMXYPFOKJUUEAEL-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.80
Rot. Bonds1

About 3-methoxycyclohexa-1,5-dien-1-amine

3-methoxycyclohexa-1,5-dien-1-amine (PubChem CID 118444827) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 3-methoxycyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name3-methoxycyclohexa-1,5-dien-1-amine
PubChem CID118444827
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name3-methoxycyclohexa-1,5-dien-1-amine
SMILESCOC1C=C(N)C=CC1
InChIInChI=1S/C7H11NO/c1-9-7-4-2-3-6(8)5-7/h2-3,5,7H,4,8H2,1H3
InChIKeyMXYPFOKJUUEAEL-UHFFFAOYSA-N
XLogP0.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxycyclohexa-1,5-dien-1-amine?
The IUPAC name of 3-methoxycyclohexa-1,5-dien-1-amine (CID 118444827) is 3-methoxycyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 3-methoxycyclohexa-1,5-dien-1-amine?
The canonical SMILES for 3-methoxycyclohexa-1,5-dien-1-amine is COC1C=C(N)C=CC1.
What is the InChIKey of 3-methoxycyclohexa-1,5-dien-1-amine?
The InChIKey is MXYPFOKJUUEAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-9-7-4-2-3-6(8)5-7/h2-3,5,7H,4,8H2,1H3.
What are the key properties of 3-methoxycyclohexa-1,5-dien-1-amine?
3-methoxycyclohexa-1,5-dien-1-amine has a molecular weight of 125.17 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxycyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 118444827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).