2-imino-5-methanimidoylinden-4-ol

C10H8N2O — CID 136883634

IUPAC2-imino-5-methanimidoylinden-4-ol
SMILES[H]/N=C/c1ccc2c(c1O)=C/C(=N/[H])C=2
InChIInChI=1S/C10H8N2O/c11-5-7-2-1-6-3-8(12)4-9(6)10(7)13/h1-5,11-13H/b11-5+,12-8+
InChIKeyAQTBWWVIZZFEDM-QAZZFAKDSA-N
MW172.19 g/mol
LogP-0.02
Rot. Bonds1

About 2-imino-5-methanimidoylinden-4-ol

2-imino-5-methanimidoylinden-4-ol (PubChem CID 136883634) has the molecular formula C10H8N2O and a molecular weight of 172.19 g/mol. Its IUPAC name is 2-imino-5-methanimidoylinden-4-ol.

Molecular Properties

Compound Name2-imino-5-methanimidoylinden-4-ol
PubChem CID136883634
Molecular FormulaC10H8N2O
Molecular Weight172.19 g/mol
Exact Mass172.06
IUPAC Name2-imino-5-methanimidoylinden-4-ol
SMILES[H]/N=C/c1ccc2c(c1O)=C/C(=N/[H])C=2
InChIInChI=1S/C10H8N2O/c11-5-7-2-1-6-3-8(12)4-9(6)10(7)13/h1-5,11-13H/b11-5+,12-8+
InChIKeyAQTBWWVIZZFEDM-QAZZFAKDSA-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

4H-1,2-benzodiazepin-7-ol
CID 90736922
4H-1,2-benzodiazepin-6-ol
CID 135771438
(5Z,6E)-6-ethylidene-5-(1-iminopropan-2-ylidene)cyclohexa-1,3-diene-1,2-diol
CID 136594424
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
5-Methanimidoyl-2-methylideneinden-4-ol
CID 136883636
2-Imino-6-methanimidoylinden-5-ol
CID 136883638
(6Z)-6-(aminomethylidene)-2-methanimidoylinden-5-ol
CID 177400195
(2Z)-2-(dimethylaminomethylidene)-5-methanimidoylinden-4-ol
CID 177419407
(5E)-5-(aminomethylidene)-2-methanimidoylinden-4-ol
CID 177526826

Frequently Asked Questions

What is the IUPAC name of 2-imino-5-methanimidoylinden-4-ol?
The IUPAC name of 2-imino-5-methanimidoylinden-4-ol (CID 136883634) is 2-imino-5-methanimidoylinden-4-ol.
What is the SMILES notation for 2-imino-5-methanimidoylinden-4-ol?
The canonical SMILES for 2-imino-5-methanimidoylinden-4-ol is [H]/N=C/c1ccc2c(c1O)=C/C(=N/[H])C=2.
What is the InChIKey of 2-imino-5-methanimidoylinden-4-ol?
The InChIKey is AQTBWWVIZZFEDM-QAZZFAKDSA-N. The full InChI is InChI=1S/C10H8N2O/c11-5-7-2-1-6-3-8(12)4-9(6)10(7)13/h1-5,11-13H/b11-5+,12-8+.
What are the key properties of 2-imino-5-methanimidoylinden-4-ol?
2-imino-5-methanimidoylinden-4-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-5-methanimidoylinden-4-ol is sourced from PubChem (CID 136883634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).