2-amino-2-cyclohexa-1,5-dien-1-ylethanol

C8H13NO — CID 77417632

IUPAC2-amino-2-cyclohexa-1,5-dien-1-ylethanol
SMILESNC(CO)C1=CCCC=C1
InChIInChI=1S/C8H13NO/c9-8(6-10)7-4-2-1-3-5-7/h2,4-5,8,10H,1,3,6,9H2
InChIKeyFAEFUAXOBMLHPE-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.58
Rot. Bonds2

About 2-amino-2-cyclohexa-1,5-dien-1-ylethanol

2-amino-2-cyclohexa-1,5-dien-1-ylethanol (PubChem CID 77417632) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-amino-2-cyclohexa-1,5-dien-1-ylethanol.

Molecular Properties

Compound Name2-amino-2-cyclohexa-1,5-dien-1-ylethanol
PubChem CID77417632
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-amino-2-cyclohexa-1,5-dien-1-ylethanol
SMILESNC(CO)C1=CCCC=C1
InChIInChI=1S/C8H13NO/c9-8(6-10)7-4-2-1-3-5-7/h2,4-5,8,10H,1,3,6,9H2
InChIKeyFAEFUAXOBMLHPE-UHFFFAOYSA-N
XLogP0.58
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclohexa-1,5-dien-1-ylethanol?
The IUPAC name of 2-amino-2-cyclohexa-1,5-dien-1-ylethanol (CID 77417632) is 2-amino-2-cyclohexa-1,5-dien-1-ylethanol.
What is the SMILES notation for 2-amino-2-cyclohexa-1,5-dien-1-ylethanol?
The canonical SMILES for 2-amino-2-cyclohexa-1,5-dien-1-ylethanol is NC(CO)C1=CCCC=C1.
What is the InChIKey of 2-amino-2-cyclohexa-1,5-dien-1-ylethanol?
The InChIKey is FAEFUAXOBMLHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c9-8(6-10)7-4-2-1-3-5-7/h2,4-5,8,10H,1,3,6,9H2.
What are the key properties of 2-amino-2-cyclohexa-1,5-dien-1-ylethanol?
2-amino-2-cyclohexa-1,5-dien-1-ylethanol has a molecular weight of 139.20 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclohexa-1,5-dien-1-ylethanol is sourced from PubChem (CID 77417632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).