N-(5-chloro-4-hydroxycyclohexa-1,5-dien-1-yl)acetamide

C8H10ClNO2 — CID 70214031

IUPACN-(5-chloro-4-hydroxycyclohexa-1,5-dien-1-yl)acetamide
SMILESCC(=O)NC1=CCC(O)C(Cl)=C1
InChIInChI=1S/C8H10ClNO2/c1-5(11)10-6-2-3-8(12)7(9)4-6/h2,4,8,12H,3H2,1H3,(H,10,11)
InChIKeyGAMKYYBDTCOZCR-UHFFFAOYSA-N
MW187.63 g/mol
LogP0.89
Rot. Bonds1

About N-(5-chloro-4-hydroxycyclohexa-1,5-dien-1-yl)acetamide

N-(5-chloro-4-hydroxycyclohexa-1,5-dien-1-yl)acetamide (PubChem CID 70214031) has the molecular formula C8H10ClNO2 and a molecular weight of 187.63 g/mol. Its IUPAC name is N-(5-chloro-4-hydroxycyclohexa-1,5-dien-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-4-hydroxycyclohexa-1,5-dien-1-yl)acetamide
PubChem CID70214031
Molecular FormulaC8H10ClNO2
Molecular Weight187.63 g/mol
Exact Mass187.04
IUPAC NameN-(5-chloro-4-hydroxycyclohexa-1,5-dien-1-yl)acetamide
SMILESCC(=O)NC1=CCC(O)C(Cl)=C1
InChIInChI=1S/C8H10ClNO2/c1-5(11)10-6-2-3-8(12)7(9)4-6/h2,4,8,12H,3H2,1H3,(H,10,11)
InChIKeyGAMKYYBDTCOZCR-UHFFFAOYSA-N
XLogP0.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-hydroxycyclohexa-1,5-dien-1-yl)acetamide
CID 89248765
N-(1-chloro-6-hydroxycyclohexa-2,4-dien-1-yl)acetamide
CID 154487622
4-(1-Hydroxyethyl)-6-methylpyridin-2-ol
CID 133059065

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-hydroxycyclohexa-1,5-dien-1-yl)acetamide?
The IUPAC name of N-(5-chloro-4-hydroxycyclohexa-1,5-dien-1-yl)acetamide (CID 70214031) is N-(5-chloro-4-hydroxycyclohexa-1,5-dien-1-yl)acetamide.
What is the SMILES notation for N-(5-chloro-4-hydroxycyclohexa-1,5-dien-1-yl)acetamide?
The canonical SMILES for N-(5-chloro-4-hydroxycyclohexa-1,5-dien-1-yl)acetamide is CC(=O)NC1=CCC(O)C(Cl)=C1.
What is the InChIKey of N-(5-chloro-4-hydroxycyclohexa-1,5-dien-1-yl)acetamide?
The InChIKey is GAMKYYBDTCOZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO2/c1-5(11)10-6-2-3-8(12)7(9)4-6/h2,4,8,12H,3H2,1H3,(H,10,11).
What are the key properties of N-(5-chloro-4-hydroxycyclohexa-1,5-dien-1-yl)acetamide?
N-(5-chloro-4-hydroxycyclohexa-1,5-dien-1-yl)acetamide has a molecular weight of 187.63 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-hydroxycyclohexa-1,5-dien-1-yl)acetamide is sourced from PubChem (CID 70214031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).