(2-methoxy-4-oxocyclohexa-2,5-dien-1-yl)azanide

C7H8NO2- — CID 143182814

IUPAC(2-methoxy-4-oxocyclohexa-2,5-dien-1-yl)azanide
SMILESCOC1=CC(=O)C=CC1[NH-]
InChIInChI=1S/C7H8NO2/c1-10-7-4-5(9)2-3-6(7)8/h2-4,6,8H,1H3/q-1
InChIKeySSNPDGBKZBXTNC-UHFFFAOYSA-N
MW138.15 g/mol
LogP1.08
Rot. Bonds1

About (2-methoxy-4-oxocyclohexa-2,5-dien-1-yl)azanide

(2-methoxy-4-oxocyclohexa-2,5-dien-1-yl)azanide (PubChem CID 143182814) has the molecular formula C7H8NO2- and a molecular weight of 138.15 g/mol. Its IUPAC name is (2-methoxy-4-oxocyclohexa-2,5-dien-1-yl)azanide.

Molecular Properties

Compound Name(2-methoxy-4-oxocyclohexa-2,5-dien-1-yl)azanide
PubChem CID143182814
Molecular FormulaC7H8NO2-
Molecular Weight138.15 g/mol
Exact Mass138.06
IUPAC Name(2-methoxy-4-oxocyclohexa-2,5-dien-1-yl)azanide
SMILESCOC1=CC(=O)C=CC1[NH-]
InChIInChI=1S/C7H8NO2/c1-10-7-4-5(9)2-3-6(7)8/h2-4,6,8H,1H3/q-1
InChIKeySSNPDGBKZBXTNC-UHFFFAOYSA-N
XLogP1.08
TPSA50.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.15
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-Aminoethyl)-5-hydroxypyran-4-one
CID 54532309
2-Aminomethyl-5-methoxy-pyran-4-one
CID 5079829
(2-Methoxy-4-oxocyclohexa-2,5-dien-1-yl)-methylazanide
CID 143182656
3-Methoxy-4-(methylamino)cyclohexa-2,5-dien-1-one
CID 143182657
2-(Diaminomethyl)pyran-4-one
CID 160533514
2-(1-Aminoethyl)-6-methylpyran-4-one
CID 176992244
3-(2-Aminopropoxy)-2-methylpyran-4-one
CID 84658988
4-Amino-3-methoxycyclohexa-2,5-dien-1-one
CID 143182815
2-(aminomethyl)-3-methoxy-4H-pyran-4-one
CID 154814353
(2-Methoxy-4-oxocyclohexa-2,5-dien-1-yl)azaniumylideneazanide
CID 163137962
(2-Methoxy-4-oxocyclohexa-2,5-dien-1-yl)iminoazanide
CID 163137963

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4-oxocyclohexa-2,5-dien-1-yl)azanide?
The IUPAC name of (2-methoxy-4-oxocyclohexa-2,5-dien-1-yl)azanide (CID 143182814) is (2-methoxy-4-oxocyclohexa-2,5-dien-1-yl)azanide.
What is the SMILES notation for (2-methoxy-4-oxocyclohexa-2,5-dien-1-yl)azanide?
The canonical SMILES for (2-methoxy-4-oxocyclohexa-2,5-dien-1-yl)azanide is COC1=CC(=O)C=CC1[NH-].
What is the InChIKey of (2-methoxy-4-oxocyclohexa-2,5-dien-1-yl)azanide?
The InChIKey is SSNPDGBKZBXTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8NO2/c1-10-7-4-5(9)2-3-6(7)8/h2-4,6,8H,1H3/q-1.
What are the key properties of (2-methoxy-4-oxocyclohexa-2,5-dien-1-yl)azanide?
(2-methoxy-4-oxocyclohexa-2,5-dien-1-yl)azanide has a molecular weight of 138.15 g/mol, XLogP of 1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4-oxocyclohexa-2,5-dien-1-yl)azanide is sourced from PubChem (CID 143182814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).