1-[[2-[amino(hydroxy)methyl]hydrazinyl]methylidene]naphthalen-2-one;dioxovanadium

C12H13N3O4V — CID 6850302

IUPAC1-[[2-[amino(hydroxy)methyl]hydrazinyl]methylidene]naphthalen-2-one;dioxovanadium
SMILESNC(O)NNC=C1C(=O)C=Cc2ccccc21.O=[V]=O
InChIInChI=1S/C12H13N3O2.2O.V/c13-12(17)15-14-7-10-9-4-2-1-3-8(9)5-6-11(10)16;;;/h1-7,12,14-15,17H,13H2;;;
InChIKeyBJCSQOWOIOHKJR-UHFFFAOYSA-N
MW314.20 g/mol
LogP-0.29
Rot. Bonds3

About 1-[[2-[amino(hydroxy)methyl]hydrazinyl]methylidene]naphthalen-2-one;dioxovanadium

1-[[2-[amino(hydroxy)methyl]hydrazinyl]methylidene]naphthalen-2-one;dioxovanadium (PubChem CID 6850302) has the molecular formula C12H13N3O4V and a molecular weight of 314.20 g/mol. Its IUPAC name is 1-[[2-[amino(hydroxy)methyl]hydrazinyl]methylidene]naphthalen-2-one;dioxovanadium.

Molecular Properties

Compound Name1-[[2-[amino(hydroxy)methyl]hydrazinyl]methylidene]naphthalen-2-one;dioxovanadium
PubChem CID6850302
Molecular FormulaC12H13N3O4V
Molecular Weight314.20 g/mol
Exact Mass314.03
IUPAC Name1-[[2-[amino(hydroxy)methyl]hydrazinyl]methylidene]naphthalen-2-one;dioxovanadium
SMILESNC(O)NNC=C1C(=O)C=Cc2ccccc21.O=[V]=O
InChIInChI=1S/C12H13N3O2.2O.V/c13-12(17)15-14-7-10-9-4-2-1-3-8(9)5-6-11(10)16;;;/h1-7,12,14-15,17H,13H2;;;
InChIKeyBJCSQOWOIOHKJR-UHFFFAOYSA-N
XLogP-0.29
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.20
LogP ≤ 5-0.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1Z)-1-[[4-[4-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]phenyl]anilino]methylidene]naphthalen-2-one
CID 6610966
bis((2S)-2-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]-3-phenylpropanoic acid);oxo(oxovanadiooxy)vanadium
CID 11251316
(1E)-1-(3,3-diphenylprop-2-enylidene)naphthalen-2-one
CID 59427156
bis(dimethyltin);bis(3-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]propanoic acid)
CID 5479998
diphenyltin;2-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]acetic acid
CID 10791509
bis((2S)-3-(4-hydroxyphenyl)-2-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]propanoic acid);oxo(oxovanadiooxy)vanadium
CID 11320363
(1Z)-1-[[[6-[[(E)-(2-oxonaphthalen-1-ylidene)methyl]amino]acridin-3-yl]amino]methylidene]naphthalen-2-one
CID 6121926
1-[[tert-butyl(hydroxy)amino]methylidene]naphthalen-2-one
CID 173281078
(1E)-1-[(2-amino-4-hydroxy-1,3-thiazol-5-yl)methylidene]naphthalen-2-one
CID 135996792
4-hydroxy-5-[(2-oxonaphthalen-1-ylidene)methyl]-3H-1,3-thiazol-2-one
CID 3096049
1-[(3-amino-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)methylidene]naphthalen-2-one
CID 1228552
4-hydroxy-5-[(2-oxonaphthalen-1-ylidene)methyl]-3-propan-2-yl-1,3-thiazol-2-one
CID 137047347

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[amino(hydroxy)methyl]hydrazinyl]methylidene]naphthalen-2-one;dioxovanadium?
The IUPAC name of 1-[[2-[amino(hydroxy)methyl]hydrazinyl]methylidene]naphthalen-2-one;dioxovanadium (CID 6850302) is 1-[[2-[amino(hydroxy)methyl]hydrazinyl]methylidene]naphthalen-2-one;dioxovanadium.
What is the SMILES notation for 1-[[2-[amino(hydroxy)methyl]hydrazinyl]methylidene]naphthalen-2-one;dioxovanadium?
The canonical SMILES for 1-[[2-[amino(hydroxy)methyl]hydrazinyl]methylidene]naphthalen-2-one;dioxovanadium is NC(O)NNC=C1C(=O)C=Cc2ccccc21.O=[V]=O.
What is the InChIKey of 1-[[2-[amino(hydroxy)methyl]hydrazinyl]methylidene]naphthalen-2-one;dioxovanadium?
The InChIKey is BJCSQOWOIOHKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2.2O.V/c13-12(17)15-14-7-10-9-4-2-1-3-8(9)5-6-11(10)16;;;/h1-7,12,14-15,17H,13H2;;;.
What are the key properties of 1-[[2-[amino(hydroxy)methyl]hydrazinyl]methylidene]naphthalen-2-one;dioxovanadium?
1-[[2-[amino(hydroxy)methyl]hydrazinyl]methylidene]naphthalen-2-one;dioxovanadium has a molecular weight of 314.20 g/mol, XLogP of -0.29, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[amino(hydroxy)methyl]hydrazinyl]methylidene]naphthalen-2-one;dioxovanadium is sourced from PubChem (CID 6850302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).