3-methoxycyclohexa-1,3-diene-1-carboxamide

C8H11NO2 — CID 22279468

IUPAC3-methoxycyclohexa-1,3-diene-1-carboxamide
SMILESCOC1=CCCC(C(N)=O)=C1
InChIInChI=1S/C8H11NO2/c1-11-7-4-2-3-6(5-7)8(9)10/h4-5H,2-3H2,1H3,(H2,9,10)
InChIKeyZFKONFVKRBJFDH-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.72
Rot. Bonds2

About 3-methoxycyclohexa-1,3-diene-1-carboxamide

3-methoxycyclohexa-1,3-diene-1-carboxamide (PubChem CID 22279468) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 3-methoxycyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name3-methoxycyclohexa-1,3-diene-1-carboxamide
PubChem CID22279468
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name3-methoxycyclohexa-1,3-diene-1-carboxamide
SMILESCOC1=CCCC(C(N)=O)=C1
InChIInChI=1S/C8H11NO2/c1-11-7-4-2-3-6(5-7)8(9)10/h4-5H,2-3H2,1H3,(H2,9,10)
InChIKeyZFKONFVKRBJFDH-UHFFFAOYSA-N
XLogP0.72
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 ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxycyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of 3-methoxycyclohexa-1,3-diene-1-carboxamide (CID 22279468) is 3-methoxycyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for 3-methoxycyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for 3-methoxycyclohexa-1,3-diene-1-carboxamide is COC1=CCCC(C(N)=O)=C1.
What is the InChIKey of 3-methoxycyclohexa-1,3-diene-1-carboxamide?
The InChIKey is ZFKONFVKRBJFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-11-7-4-2-3-6(5-7)8(9)10/h4-5H,2-3H2,1H3,(H2,9,10).
What are the key properties of 3-methoxycyclohexa-1,3-diene-1-carboxamide?
3-methoxycyclohexa-1,3-diene-1-carboxamide has a molecular weight of 153.18 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxycyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 22279468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).