5-methanimidoyl-2-methylideneinden-4-ol

C11H9NO — CID 136883636

IUPAC5-methanimidoyl-2-methylideneinden-4-ol
SMILES[H]/N=C/c1ccc2c(c1O)=CC(=C)C=2
InChIInChI=1S/C11H9NO/c1-7-4-8-2-3-9(6-12)11(13)10(8)5-7/h2-6,12-13H,1H2/b12-6+
InChIKeyKVRGQLITQHGGQK-WUXMJOGZSA-N
MW171.20 g/mol
LogP0.52
Rot. Bonds1

About 5-methanimidoyl-2-methylideneinden-4-ol

5-methanimidoyl-2-methylideneinden-4-ol (PubChem CID 136883636) has the molecular formula C11H9NO and a molecular weight of 171.20 g/mol. Its IUPAC name is 5-methanimidoyl-2-methylideneinden-4-ol.

Molecular Properties

Compound Name5-methanimidoyl-2-methylideneinden-4-ol
PubChem CID136883636
Molecular FormulaC11H9NO
Molecular Weight171.20 g/mol
Exact Mass171.07
IUPAC Name5-methanimidoyl-2-methylideneinden-4-ol
SMILES[H]/N=C/c1ccc2c(c1O)=CC(=C)C=2
InChIInChI=1S/C11H9NO/c1-7-4-8-2-3-9(6-12)11(13)10(8)5-7/h2-6,12-13H,1H2/b12-6+
InChIKeyKVRGQLITQHGGQK-WUXMJOGZSA-N
XLogP0.52
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methanimidoyl-2-methylideneinden-4-ol?
The IUPAC name of 5-methanimidoyl-2-methylideneinden-4-ol (CID 136883636) is 5-methanimidoyl-2-methylideneinden-4-ol.
What is the SMILES notation for 5-methanimidoyl-2-methylideneinden-4-ol?
The canonical SMILES for 5-methanimidoyl-2-methylideneinden-4-ol is [H]/N=C/c1ccc2c(c1O)=CC(=C)C=2.
What is the InChIKey of 5-methanimidoyl-2-methylideneinden-4-ol?
The InChIKey is KVRGQLITQHGGQK-WUXMJOGZSA-N. The full InChI is InChI=1S/C11H9NO/c1-7-4-8-2-3-9(6-12)11(13)10(8)5-7/h2-6,12-13H,1H2/b12-6+.
What are the key properties of 5-methanimidoyl-2-methylideneinden-4-ol?
5-methanimidoyl-2-methylideneinden-4-ol has a molecular weight of 171.20 g/mol, XLogP of 0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methanimidoyl-2-methylideneinden-4-ol is sourced from PubChem (CID 136883636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).