[(6S)-6-amino-2-methylcyclohexa-2,4-dien-1-yl]methanol

C8H13NO — CID 134550730

IUPAC[(6S)-6-amino-2-methylcyclohexa-2,4-dien-1-yl]methanol
SMILESCC1=CC=C[C@H](N)C1CO
InChIInChI=1S/C8H13NO/c1-6-3-2-4-8(9)7(6)5-10/h2-4,7-8,10H,5,9H2,1H3/t7?,8-/m0/s1
InChIKeyLZACIVIMUMQUJF-MQWKRIRWSA-N
MW139.20 g/mol
LogP0.44
Rot. Bonds1

About [(6S)-6-amino-2-methylcyclohexa-2,4-dien-1-yl]methanol

[(6S)-6-amino-2-methylcyclohexa-2,4-dien-1-yl]methanol (PubChem CID 134550730) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is [(6S)-6-amino-2-methylcyclohexa-2,4-dien-1-yl]methanol.

Molecular Properties

Compound Name[(6S)-6-amino-2-methylcyclohexa-2,4-dien-1-yl]methanol
PubChem CID134550730
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name[(6S)-6-amino-2-methylcyclohexa-2,4-dien-1-yl]methanol
SMILESCC1=CC=C[C@H](N)C1CO
InChIInChI=1S/C8H13NO/c1-6-3-2-4-8(9)7(6)5-10/h2-4,7-8,10H,5,9H2,1H3/t7?,8-/m0/s1
InChIKeyLZACIVIMUMQUJF-MQWKRIRWSA-N
XLogP0.44
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(6S)-6-amino-2-methylcyclohexa-2,4-dien-1-yl]methanol?
The IUPAC name of [(6S)-6-amino-2-methylcyclohexa-2,4-dien-1-yl]methanol (CID 134550730) is [(6S)-6-amino-2-methylcyclohexa-2,4-dien-1-yl]methanol.
What is the SMILES notation for [(6S)-6-amino-2-methylcyclohexa-2,4-dien-1-yl]methanol?
The canonical SMILES for [(6S)-6-amino-2-methylcyclohexa-2,4-dien-1-yl]methanol is CC1=CC=C[C@H](N)C1CO.
What is the InChIKey of [(6S)-6-amino-2-methylcyclohexa-2,4-dien-1-yl]methanol?
The InChIKey is LZACIVIMUMQUJF-MQWKRIRWSA-N. The full InChI is InChI=1S/C8H13NO/c1-6-3-2-4-8(9)7(6)5-10/h2-4,7-8,10H,5,9H2,1H3/t7?,8-/m0/s1.
What are the key properties of [(6S)-6-amino-2-methylcyclohexa-2,4-dien-1-yl]methanol?
[(6S)-6-amino-2-methylcyclohexa-2,4-dien-1-yl]methanol has a molecular weight of 139.20 g/mol, XLogP of 0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S)-6-amino-2-methylcyclohexa-2,4-dien-1-yl]methanol is sourced from PubChem (CID 134550730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).