[[2-(4-methoxyphenyl)-2-oxoethylidene]amino]azaniumylideneazanide

C9H9N3O2 — CID 170923497

IUPAC[[2-(4-methoxyphenyl)-2-oxoethylidene]amino]azaniumylideneazanide
SMILESCOc1ccc(C(=O)C=N[NH+]=[N-])cc1
InChIInChI=1S/C9H9N3O2/c1-14-8-4-2-7(3-5-8)9(13)6-11-12-10/h2-6,12H,1H3
InChIKeyMVKMLOMQRPJBRT-UHFFFAOYSA-N
MW191.19 g/mol
LogP-0.03
Rot. Bonds4

About [[2-(4-methoxyphenyl)-2-oxoethylidene]amino]azaniumylideneazanide

[[2-(4-methoxyphenyl)-2-oxoethylidene]amino]azaniumylideneazanide (PubChem CID 170923497) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is [[2-(4-methoxyphenyl)-2-oxoethylidene]amino]azaniumylideneazanide.

Molecular Properties

Compound Name[[2-(4-methoxyphenyl)-2-oxoethylidene]amino]azaniumylideneazanide
PubChem CID170923497
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name[[2-(4-methoxyphenyl)-2-oxoethylidene]amino]azaniumylideneazanide
SMILESCOc1ccc(C(=O)C=N[NH+]=[N-])cc1
InChIInChI=1S/C9H9N3O2/c1-14-8-4-2-7(3-5-8)9(13)6-11-12-10/h2-6,12H,1H3
InChIKeyMVKMLOMQRPJBRT-UHFFFAOYSA-N
XLogP-0.03
TPSA74.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-benzhydrylimino-1-(4-methoxyphenyl)ethanone
CID 139818833
3,3-dibromo-1-(4-methoxyphenyl)prop-2-en-1-one
CID 135039822
3-chloro-1-(4-methoxyphenyl)prop-2-en-1-one
CID 27468
(E)-1-(4-chlorophenyl)-4-(4-methoxyphenyl)but-2-ene-1,4-dione
CID 102100444
1-(4-methoxyphenyl)-3-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]sulfanylprop-2-en-1-one
CID 2825443
1-(4-methoxyphenyl)-3-(methylamino)prop-2-en-1-one
CID 135086544
CID 59098785
CID 59098785
(Z)-3-alumanyloxy-1,3-bis(4-methoxyphenyl)prop-2-en-1-one
CID 157274158
(4-methoxybenzoyl)-λ2-stannane
CID 174742034
1-(4-methoxyphenyl)ethanone;hydrochloride
CID 23164565
4-methoxybenzoic acid;silver
CID 140722019
4-methoxybenzoic acid;hydrobromide
CID 172731707

Frequently Asked Questions

What is the IUPAC name of [[2-(4-methoxyphenyl)-2-oxoethylidene]amino]azaniumylideneazanide?
The IUPAC name of [[2-(4-methoxyphenyl)-2-oxoethylidene]amino]azaniumylideneazanide (CID 170923497) is [[2-(4-methoxyphenyl)-2-oxoethylidene]amino]azaniumylideneazanide.
What is the SMILES notation for [[2-(4-methoxyphenyl)-2-oxoethylidene]amino]azaniumylideneazanide?
The canonical SMILES for [[2-(4-methoxyphenyl)-2-oxoethylidene]amino]azaniumylideneazanide is COc1ccc(C(=O)C=N[NH+]=[N-])cc1.
What is the InChIKey of [[2-(4-methoxyphenyl)-2-oxoethylidene]amino]azaniumylideneazanide?
The InChIKey is MVKMLOMQRPJBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-14-8-4-2-7(3-5-8)9(13)6-11-12-10/h2-6,12H,1H3.
What are the key properties of [[2-(4-methoxyphenyl)-2-oxoethylidene]amino]azaniumylideneazanide?
[[2-(4-methoxyphenyl)-2-oxoethylidene]amino]azaniumylideneazanide has a molecular weight of 191.19 g/mol, XLogP of -0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-(4-methoxyphenyl)-2-oxoethylidene]amino]azaniumylideneazanide is sourced from PubChem (CID 170923497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).