[(1R)-4-methoxycyclohexa-2,4-dien-1-yl]methanamine

C8H13NO — CID 89316193

IUPAC[(1R)-4-methoxycyclohexa-2,4-dien-1-yl]methanamine
SMILESCOC1=CC[C@@H](CN)C=C1
InChIInChI=1S/C8H13NO/c1-10-8-4-2-7(6-9)3-5-8/h2,4-5,7H,3,6,9H2,1H3/t7-/m0/s1
InChIKeyBMXUMHXGVVQMKO-ZETCQYMHSA-N
MW139.20 g/mol
LogP1.05
Rot. Bonds2

About [(1R)-4-methoxycyclohexa-2,4-dien-1-yl]methanamine

[(1R)-4-methoxycyclohexa-2,4-dien-1-yl]methanamine (PubChem CID 89316193) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is [(1R)-4-methoxycyclohexa-2,4-dien-1-yl]methanamine.

Molecular Properties

Compound Name[(1R)-4-methoxycyclohexa-2,4-dien-1-yl]methanamine
PubChem CID89316193
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name[(1R)-4-methoxycyclohexa-2,4-dien-1-yl]methanamine
SMILESCOC1=CC[C@@H](CN)C=C1
InChIInChI=1S/C8H13NO/c1-10-8-4-2-7(6-9)3-5-8/h2,4-5,7H,3,6,9H2,1H3/t7-/m0/s1
InChIKeyBMXUMHXGVVQMKO-ZETCQYMHSA-N
XLogP1.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R)-4-methoxycyclohexa-2,4-dien-1-yl]methanamine?
The IUPAC name of [(1R)-4-methoxycyclohexa-2,4-dien-1-yl]methanamine (CID 89316193) is [(1R)-4-methoxycyclohexa-2,4-dien-1-yl]methanamine.
What is the SMILES notation for [(1R)-4-methoxycyclohexa-2,4-dien-1-yl]methanamine?
The canonical SMILES for [(1R)-4-methoxycyclohexa-2,4-dien-1-yl]methanamine is COC1=CC[C@@H](CN)C=C1.
What is the InChIKey of [(1R)-4-methoxycyclohexa-2,4-dien-1-yl]methanamine?
The InChIKey is BMXUMHXGVVQMKO-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H13NO/c1-10-8-4-2-7(6-9)3-5-8/h2,4-5,7H,3,6,9H2,1H3/t7-/m0/s1.
What are the key properties of [(1R)-4-methoxycyclohexa-2,4-dien-1-yl]methanamine?
[(1R)-4-methoxycyclohexa-2,4-dien-1-yl]methanamine has a molecular weight of 139.20 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-4-methoxycyclohexa-2,4-dien-1-yl]methanamine is sourced from PubChem (CID 89316193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).