1-(1-aminocyclohexa-2,4-dien-1-yl)ethanol

C8H13NO — CID 69493735

IUPAC1-(1-aminocyclohexa-2,4-dien-1-yl)ethanol
SMILESCC(O)C1(N)C=CC=CC1
InChIInChI=1S/C8H13NO/c1-7(10)8(9)5-3-2-4-6-8/h2-5,7,10H,6,9H2,1H3
InChIKeyHHAXRNSYSMQNKO-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.58
Rot. Bonds1

About 1-(1-aminocyclohexa-2,4-dien-1-yl)ethanol

1-(1-aminocyclohexa-2,4-dien-1-yl)ethanol (PubChem CID 69493735) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-(1-aminocyclohexa-2,4-dien-1-yl)ethanol.

Molecular Properties

Compound Name1-(1-aminocyclohexa-2,4-dien-1-yl)ethanol
PubChem CID69493735
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1-(1-aminocyclohexa-2,4-dien-1-yl)ethanol
SMILESCC(O)C1(N)C=CC=CC1
InChIInChI=1S/C8H13NO/c1-7(10)8(9)5-3-2-4-6-8/h2-5,7,10H,6,9H2,1H3
InChIKeyHHAXRNSYSMQNKO-UHFFFAOYSA-N
XLogP0.58
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 ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclohexa-2,4-dien-1-yl)ethanol?
The IUPAC name of 1-(1-aminocyclohexa-2,4-dien-1-yl)ethanol (CID 69493735) is 1-(1-aminocyclohexa-2,4-dien-1-yl)ethanol.
What is the SMILES notation for 1-(1-aminocyclohexa-2,4-dien-1-yl)ethanol?
The canonical SMILES for 1-(1-aminocyclohexa-2,4-dien-1-yl)ethanol is CC(O)C1(N)C=CC=CC1.
What is the InChIKey of 1-(1-aminocyclohexa-2,4-dien-1-yl)ethanol?
The InChIKey is HHAXRNSYSMQNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-7(10)8(9)5-3-2-4-6-8/h2-5,7,10H,6,9H2,1H3.
What are the key properties of 1-(1-aminocyclohexa-2,4-dien-1-yl)ethanol?
1-(1-aminocyclohexa-2,4-dien-1-yl)ethanol has a molecular weight of 139.20 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclohexa-2,4-dien-1-yl)ethanol is sourced from PubChem (CID 69493735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).