2-imino-6-methanimidoylinden-5-ol

C10H8N2O — CID 136883638

IUPAC2-imino-6-methanimidoylinden-5-ol
SMILES[H]/N=C1\C=c2cc(O)c(/C=N/[H])cc2=C1
InChIInChI=1S/C10H8N2O/c11-5-8-1-6-2-9(12)3-7(6)4-10(8)13/h1-5,11-13H/b11-5+,12-9-
InChIKeyBTNFNGKPVORRCO-XAGHOVOHSA-N
MW172.19 g/mol
LogP-0.02
Rot. Bonds1

About 2-imino-6-methanimidoylinden-5-ol

2-imino-6-methanimidoylinden-5-ol (PubChem CID 136883638) has the molecular formula C10H8N2O and a molecular weight of 172.19 g/mol. Its IUPAC name is 2-imino-6-methanimidoylinden-5-ol.

Molecular Properties

Compound Name2-imino-6-methanimidoylinden-5-ol
PubChem CID136883638
Molecular FormulaC10H8N2O
Molecular Weight172.19 g/mol
Exact Mass172.06
IUPAC Name2-imino-6-methanimidoylinden-5-ol
SMILES[H]/N=C1\C=c2cc(O)c(/C=N/[H])cc2=C1
InChIInChI=1S/C10H8N2O/c11-5-8-1-6-2-9(12)3-7(6)4-10(8)13/h1-5,11-13H/b11-5+,12-9-
InChIKeyBTNFNGKPVORRCO-XAGHOVOHSA-N
XLogP-0.02
TPSA67.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7H-indazol-5-ol
CID 69987634
4H-1,2-benzodiazepin-7-ol
CID 90736922
7-methyl-7H-indazol-5-ol
CID 118077558
4H-1,2-benzodiazepin-6-ol
CID 135771438
6-Methanimidoyl-2-methylideneinden-5-ol
CID 101845325
(5-Hydroxy-6-methanimidoylinden-2-ylidene)azanide
CID 101845330
(4-Hydroxy-5-methanimidoylinden-2-ylidene)azanide
CID 136883633
2-Imino-5-methanimidoylinden-4-ol
CID 136883634
5-Methanimidoyl-2-methylideneinden-4-ol
CID 136883636
(3Z)-4-imino-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-1-en-2-ol
CID 177021081
(6Z)-6-(aminomethylidene)-2-methanimidoylinden-5-ol
CID 177400195
(5E)-5-(aminomethylidene)-2-methanimidoylinden-4-ol
CID 177526826

Frequently Asked Questions

What is the IUPAC name of 2-imino-6-methanimidoylinden-5-ol?
The IUPAC name of 2-imino-6-methanimidoylinden-5-ol (CID 136883638) is 2-imino-6-methanimidoylinden-5-ol.
What is the SMILES notation for 2-imino-6-methanimidoylinden-5-ol?
The canonical SMILES for 2-imino-6-methanimidoylinden-5-ol is [H]/N=C1\C=c2cc(O)c(/C=N/[H])cc2=C1.
What is the InChIKey of 2-imino-6-methanimidoylinden-5-ol?
The InChIKey is BTNFNGKPVORRCO-XAGHOVOHSA-N. The full InChI is InChI=1S/C10H8N2O/c11-5-8-1-6-2-9(12)3-7(6)4-10(8)13/h1-5,11-13H/b11-5+,12-9-.
What are the key properties of 2-imino-6-methanimidoylinden-5-ol?
2-imino-6-methanimidoylinden-5-ol has a molecular weight of 172.19 g/mol, XLogP of -0.02, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-6-methanimidoylinden-5-ol is sourced from PubChem (CID 136883638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).