5-methoxycyclohexa-2,4-diene-1-carboxamide

C8H11NO2 — CID 144707416

IUPAC5-methoxycyclohexa-2,4-diene-1-carboxamide
SMILESCOC1=CC=CC(C(N)=O)C1
InChIInChI=1S/C8H11NO2/c1-11-7-4-2-3-6(5-7)8(9)10/h2-4,6H,5H2,1H3,(H2,9,10)
InChIKeyYGKSNDSXTBWVSP-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.58
Rot. Bonds2

About 5-methoxycyclohexa-2,4-diene-1-carboxamide

5-methoxycyclohexa-2,4-diene-1-carboxamide (PubChem CID 144707416) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 5-methoxycyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name5-methoxycyclohexa-2,4-diene-1-carboxamide
PubChem CID144707416
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name5-methoxycyclohexa-2,4-diene-1-carboxamide
SMILESCOC1=CC=CC(C(N)=O)C1
InChIInChI=1S/C8H11NO2/c1-11-7-4-2-3-6(5-7)8(9)10/h2-4,6H,5H2,1H3,(H2,9,10)
InChIKeyYGKSNDSXTBWVSP-UHFFFAOYSA-N
XLogP0.58
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxycyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 5-methoxycyclohexa-2,4-diene-1-carboxamide (CID 144707416) is 5-methoxycyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 5-methoxycyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 5-methoxycyclohexa-2,4-diene-1-carboxamide is COC1=CC=CC(C(N)=O)C1.
What is the InChIKey of 5-methoxycyclohexa-2,4-diene-1-carboxamide?
The InChIKey is YGKSNDSXTBWVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-11-7-4-2-3-6(5-7)8(9)10/h2-4,6H,5H2,1H3,(H2,9,10).
What are the key properties of 5-methoxycyclohexa-2,4-diene-1-carboxamide?
5-methoxycyclohexa-2,4-diene-1-carboxamide has a molecular weight of 153.18 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxycyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 144707416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).