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

C8H13NO — CID 152591989

IUPAC2-(1-aminocyclohexa-2,4-dien-1-yl)ethanol
SMILESNC1(CCO)C=CC=CC1
InChIInChI=1S/C8H13NO/c9-8(6-7-10)4-2-1-3-5-8/h1-4,10H,5-7,9H2
InChIKeyYVRCESVYIBBDTC-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.58
Rot. Bonds2

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

2-(1-aminocyclohexa-2,4-dien-1-yl)ethanol (PubChem CID 152591989) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-(1-aminocyclohexa-2,4-dien-1-yl)ethanol.

Molecular Properties

Compound Name2-(1-aminocyclohexa-2,4-dien-1-yl)ethanol
PubChem CID152591989
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-(1-aminocyclohexa-2,4-dien-1-yl)ethanol
SMILESNC1(CCO)C=CC=CC1
InChIInChI=1S/C8H13NO/c9-8(6-7-10)4-2-1-3-5-8/h1-4,10H,5-7,9H2
InChIKeyYVRCESVYIBBDTC-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-(1-aminocyclohexa-2,4-dien-1-yl)ethanol?
The IUPAC name of 2-(1-aminocyclohexa-2,4-dien-1-yl)ethanol (CID 152591989) is 2-(1-aminocyclohexa-2,4-dien-1-yl)ethanol.
What is the SMILES notation for 2-(1-aminocyclohexa-2,4-dien-1-yl)ethanol?
The canonical SMILES for 2-(1-aminocyclohexa-2,4-dien-1-yl)ethanol is NC1(CCO)C=CC=CC1.
What is the InChIKey of 2-(1-aminocyclohexa-2,4-dien-1-yl)ethanol?
The InChIKey is YVRCESVYIBBDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c9-8(6-7-10)4-2-1-3-5-8/h1-4,10H,5-7,9H2.
What are the key properties of 2-(1-aminocyclohexa-2,4-dien-1-yl)ethanol?
2-(1-aminocyclohexa-2,4-dien-1-yl)ethanol 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-(1-aminocyclohexa-2,4-dien-1-yl)ethanol is sourced from PubChem (CID 152591989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).