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

C8H10NO2- — CID 143182656

IUPAC(2-methoxy-4-oxocyclohexa-2,5-dien-1-yl)-methylazanide
SMILESC[N-]C1C=CC(=O)C=C1OC
InChIInChI=1S/C8H10NO2/c1-9-7-4-3-6(10)5-8(7)11-2/h3-5,7H,1-2H3/q-1
InChIKeyZSGJIQRTCGAUHT-UHFFFAOYSA-N
MW152.17 g/mol
LogP1.03
Rot. Bonds2

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

(2-methoxy-4-oxocyclohexa-2,5-dien-1-yl)-methylazanide (PubChem CID 143182656) has the molecular formula C8H10NO2- and a molecular weight of 152.17 g/mol. Its IUPAC name is (2-methoxy-4-oxocyclohexa-2,5-dien-1-yl)-methylazanide.

Molecular Properties

Compound Name(2-methoxy-4-oxocyclohexa-2,5-dien-1-yl)-methylazanide
PubChem CID143182656
Molecular FormulaC8H10NO2-
Molecular Weight152.17 g/mol
Exact Mass152.07
IUPAC Name(2-methoxy-4-oxocyclohexa-2,5-dien-1-yl)-methylazanide
SMILESC[N-]C1C=CC(=O)C=C1OC
InChIInChI=1S/C8H10NO2/c1-9-7-4-3-6(10)5-8(7)11-2/h3-5,7H,1-2H3/q-1
InChIKeyZSGJIQRTCGAUHT-UHFFFAOYSA-N
XLogP1.03
TPSA40.40 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methoxy-4-(methylamino)cyclohexa-2,5-dien-1-one
CID 143182657
(2-Methoxy-4-oxocyclohexa-2,5-dien-1-yl)azanide
CID 143182814
2-[1-(Dimethylamino)ethyl]-6-methylpyran-4-one
CID 171531843
2-[1-(Dimethylamino)ethyl]-6-methylpyran-4-one;ethane
CID 176992571
(E)-4-(4-methylmorpholin-3-yl)but-3-en-2-one
CID 177230471
(E)-4-[(3R)-4-methylmorpholin-3-yl]but-3-en-2-one
CID 177231796
4-Amino-3-methoxycyclohexa-2,5-dien-1-one
CID 143182815
(E)-5-[2-methoxyethyl(propan-2-yl)amino]pent-3-en-2-one
CID 143775785
(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)-methylazanide?
The IUPAC name of (2-methoxy-4-oxocyclohexa-2,5-dien-1-yl)-methylazanide (CID 143182656) is (2-methoxy-4-oxocyclohexa-2,5-dien-1-yl)-methylazanide.
What is the SMILES notation for (2-methoxy-4-oxocyclohexa-2,5-dien-1-yl)-methylazanide?
The canonical SMILES for (2-methoxy-4-oxocyclohexa-2,5-dien-1-yl)-methylazanide is C[N-]C1C=CC(=O)C=C1OC.
What is the InChIKey of (2-methoxy-4-oxocyclohexa-2,5-dien-1-yl)-methylazanide?
The InChIKey is ZSGJIQRTCGAUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10NO2/c1-9-7-4-3-6(10)5-8(7)11-2/h3-5,7H,1-2H3/q-1.
What are the key properties of (2-methoxy-4-oxocyclohexa-2,5-dien-1-yl)-methylazanide?
(2-methoxy-4-oxocyclohexa-2,5-dien-1-yl)-methylazanide has a molecular weight of 152.17 g/mol, XLogP of 1.03, 2 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)-methylazanide is sourced from PubChem (CID 143182656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).