N-(6-hydroxycyclohexa-1,3-dien-1-yl)benzamide

C13H13NO2 — CID 152798199

IUPACN-(6-hydroxycyclohexa-1,3-dien-1-yl)benzamide
SMILESO=C(NC1=CC=CCC1O)c1ccccc1
InChIInChI=1S/C13H13NO2/c15-12-9-5-4-8-11(12)14-13(16)10-6-2-1-3-7-10/h1-8,12,15H,9H2,(H,14,16)
InChIKeySMVXWVBFBNLPFR-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.62
Rot. Bonds2

About N-(6-hydroxycyclohexa-1,3-dien-1-yl)benzamide

N-(6-hydroxycyclohexa-1,3-dien-1-yl)benzamide (PubChem CID 152798199) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is N-(6-hydroxycyclohexa-1,3-dien-1-yl)benzamide.

Molecular Properties

Compound NameN-(6-hydroxycyclohexa-1,3-dien-1-yl)benzamide
PubChem CID152798199
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC NameN-(6-hydroxycyclohexa-1,3-dien-1-yl)benzamide
SMILESO=C(NC1=CC=CCC1O)c1ccccc1
InChIInChI=1S/C13H13NO2/c15-12-9-5-4-8-11(12)14-13(16)10-6-2-1-3-7-10/h1-8,12,15H,9H2,(H,14,16)
InChIKeySMVXWVBFBNLPFR-UHFFFAOYSA-N
XLogP1.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxycyclohexa-1,3-dien-1-yl)benzamide?
The IUPAC name of N-(6-hydroxycyclohexa-1,3-dien-1-yl)benzamide (CID 152798199) is N-(6-hydroxycyclohexa-1,3-dien-1-yl)benzamide.
What is the SMILES notation for N-(6-hydroxycyclohexa-1,3-dien-1-yl)benzamide?
The canonical SMILES for N-(6-hydroxycyclohexa-1,3-dien-1-yl)benzamide is O=C(NC1=CC=CCC1O)c1ccccc1.
What is the InChIKey of N-(6-hydroxycyclohexa-1,3-dien-1-yl)benzamide?
The InChIKey is SMVXWVBFBNLPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c15-12-9-5-4-8-11(12)14-13(16)10-6-2-1-3-7-10/h1-8,12,15H,9H2,(H,14,16).
What are the key properties of N-(6-hydroxycyclohexa-1,3-dien-1-yl)benzamide?
N-(6-hydroxycyclohexa-1,3-dien-1-yl)benzamide has a molecular weight of 215.25 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxycyclohexa-1,3-dien-1-yl)benzamide is sourced from PubChem (CID 152798199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).