N-(5-amino-6-hydroxycyclohexa-1,3-dien-1-yl)acetamide

C8H12N2O2 — CID 67678738

IUPACN-(5-amino-6-hydroxycyclohexa-1,3-dien-1-yl)acetamide
SMILESCC(=O)NC1=CC=CC(N)C1O
InChIInChI=1S/C8H12N2O2/c1-5(11)10-7-4-2-3-6(9)8(7)12/h2-4,6,8,12H,9H2,1H3,(H,10,11)
InChIKeyDWSZTBLEFGHWTH-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.74
Rot. Bonds1

About N-(5-amino-6-hydroxycyclohexa-1,3-dien-1-yl)acetamide

N-(5-amino-6-hydroxycyclohexa-1,3-dien-1-yl)acetamide (PubChem CID 67678738) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is N-(5-amino-6-hydroxycyclohexa-1,3-dien-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-amino-6-hydroxycyclohexa-1,3-dien-1-yl)acetamide
PubChem CID67678738
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC NameN-(5-amino-6-hydroxycyclohexa-1,3-dien-1-yl)acetamide
SMILESCC(=O)NC1=CC=CC(N)C1O
InChIInChI=1S/C8H12N2O2/c1-5(11)10-7-4-2-3-6(9)8(7)12/h2-4,6,8,12H,9H2,1H3,(H,10,11)
InChIKeyDWSZTBLEFGHWTH-UHFFFAOYSA-N
XLogP-0.74
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-6-hydroxycyclohexa-1,3-dien-1-yl)acetamide?
The IUPAC name of N-(5-amino-6-hydroxycyclohexa-1,3-dien-1-yl)acetamide (CID 67678738) is N-(5-amino-6-hydroxycyclohexa-1,3-dien-1-yl)acetamide.
What is the SMILES notation for N-(5-amino-6-hydroxycyclohexa-1,3-dien-1-yl)acetamide?
The canonical SMILES for N-(5-amino-6-hydroxycyclohexa-1,3-dien-1-yl)acetamide is CC(=O)NC1=CC=CC(N)C1O.
What is the InChIKey of N-(5-amino-6-hydroxycyclohexa-1,3-dien-1-yl)acetamide?
The InChIKey is DWSZTBLEFGHWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-5(11)10-7-4-2-3-6(9)8(7)12/h2-4,6,8,12H,9H2,1H3,(H,10,11).
What are the key properties of N-(5-amino-6-hydroxycyclohexa-1,3-dien-1-yl)acetamide?
N-(5-amino-6-hydroxycyclohexa-1,3-dien-1-yl)acetamide has a molecular weight of 168.20 g/mol, XLogP of -0.74, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-6-hydroxycyclohexa-1,3-dien-1-yl)acetamide is sourced from PubChem (CID 67678738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).