(4-hydroxy-5-methanimidoylinden-2-ylidene)azanide

C10H7N2O- — CID 136883633

IUPAC(4-hydroxy-5-methanimidoylinden-2-ylidene)azanide
SMILES[H]/N=C/c1ccc2c(c1O)=CC(=[N-])C=2
InChIInChI=1S/C10H7N2O/c11-5-7-2-1-6-3-8(12)4-9(6)10(7)13/h1-5,11,13H/q-1/b11-5+
InChIKeyVTRQVTNSSJKSEB-VZUCSPMQSA-N
MW171.18 g/mol
LogP-0.03
Rot. Bonds1

About (4-hydroxy-5-methanimidoylinden-2-ylidene)azanide

(4-hydroxy-5-methanimidoylinden-2-ylidene)azanide (PubChem CID 136883633) has the molecular formula C10H7N2O- and a molecular weight of 171.18 g/mol. Its IUPAC name is (4-hydroxy-5-methanimidoylinden-2-ylidene)azanide.

Molecular Properties

Compound Name(4-hydroxy-5-methanimidoylinden-2-ylidene)azanide
PubChem CID136883633
Molecular FormulaC10H7N2O-
Molecular Weight171.18 g/mol
Exact Mass171.06
IUPAC Name(4-hydroxy-5-methanimidoylinden-2-ylidene)azanide
SMILES[H]/N=C/c1ccc2c(c1O)=CC(=[N-])C=2
InChIInChI=1S/C10H7N2O/c11-5-7-2-1-6-3-8(12)4-9(6)10(7)13/h1-5,11,13H/q-1/b11-5+
InChIKeyVTRQVTNSSJKSEB-VZUCSPMQSA-N
XLogP-0.03
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.18
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4H-1,2-benzodiazepin-6-ol
CID 135771438
2H-indol-4-ol
CID 153710230
6-Methanimidoyl-2-methylideneinden-5-ol
CID 101845325
(5-Hydroxy-6-methanimidoylinden-2-ylidene)azanide
CID 101845330
2-Imino-5-methanimidoylinden-4-ol
CID 136883634
5-Methanimidoyl-2-methylideneinden-4-ol
CID 136883636
2-Imino-6-methanimidoylinden-5-ol
CID 136883638
(5E)-5-(aminomethylidene)-2-methanimidoylinden-4-ol
CID 177526826

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-5-methanimidoylinden-2-ylidene)azanide?
The IUPAC name of (4-hydroxy-5-methanimidoylinden-2-ylidene)azanide (CID 136883633) is (4-hydroxy-5-methanimidoylinden-2-ylidene)azanide.
What is the SMILES notation for (4-hydroxy-5-methanimidoylinden-2-ylidene)azanide?
The canonical SMILES for (4-hydroxy-5-methanimidoylinden-2-ylidene)azanide is [H]/N=C/c1ccc2c(c1O)=CC(=[N-])C=2.
What is the InChIKey of (4-hydroxy-5-methanimidoylinden-2-ylidene)azanide?
The InChIKey is VTRQVTNSSJKSEB-VZUCSPMQSA-N. The full InChI is InChI=1S/C10H7N2O/c11-5-7-2-1-6-3-8(12)4-9(6)10(7)13/h1-5,11,13H/q-1/b11-5+.
What are the key properties of (4-hydroxy-5-methanimidoylinden-2-ylidene)azanide?
(4-hydroxy-5-methanimidoylinden-2-ylidene)azanide has a molecular weight of 171.18 g/mol, XLogP of -0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-5-methanimidoylinden-2-ylidene)azanide is sourced from PubChem (CID 136883633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).