(Z)-indol-2-ylidenemethanolate

C9H6NO- — CID 134894680

IUPAC(Z)-indol-2-ylidenemethanolate
SMILES[O-]/C=C1/C=c2ccccc2=N1
InChIInChI=1S/C9H7NO/c11-6-8-5-7-3-1-2-4-9(7)10-8/h1-6,11H/p-1/b8-6-
InChIKeyIDTJTDMISOHUPJ-VURMDHGXSA-M
MW144.15 g/mol
LogP-0.70
Rot. Bonds

About (Z)-indol-2-ylidenemethanolate

(Z)-indol-2-ylidenemethanolate (PubChem CID 134894680) has the molecular formula C9H6NO- and a molecular weight of 144.15 g/mol. Its IUPAC name is (Z)-indol-2-ylidenemethanolate.

Molecular Properties

Compound Name(Z)-indol-2-ylidenemethanolate
PubChem CID134894680
Molecular FormulaC9H6NO-
Molecular Weight144.15 g/mol
Exact Mass144.05
IUPAC Name(Z)-indol-2-ylidenemethanolate
SMILES[O-]/C=C1/C=c2ccccc2=N1
InChIInChI=1S/C9H7NO/c11-6-8-5-7-3-1-2-4-9(7)10-8/h1-6,11H/p-1/b8-6-
InChIKeyIDTJTDMISOHUPJ-VURMDHGXSA-M
XLogP-0.70
TPSA35.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.15
LogP ≤ 5-0.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

Carbonylindole
CID 12913531
Methyleneindole
CID 20077160
Oxazinocarbazole
CID 87988410
(E)-(4-methylcyclopenta[b]pyridin-2-ylidene)methanolate
CID 138966761
(5-Methylindol-2-ylidene)methanone
CID 21327252
(1E,3Z,10Z)-7-oxa-19-azatetracyclo[10.7.0.04,9.013,18]nonadeca-1,3,5,8,10,12,14,16,18-nonaene
CID 21887047
2-Ethenylideneindole
CID 23363330
7-Oxa-19-azatetracyclo[10.7.0.04,9.013,18]nonadeca-1,3,5,8,10,12,14,16,18-nonaene
CID 53737397
2-methoxy-5H-indole
CID 67762343
7H-indol-2-ol
CID 67864969
5H-indol-2-ol
CID 70440844
2-methoxy-7H-indole
CID 70467316

Frequently Asked Questions

What is the IUPAC name of (Z)-indol-2-ylidenemethanolate?
The IUPAC name of (Z)-indol-2-ylidenemethanolate (CID 134894680) is (Z)-indol-2-ylidenemethanolate.
What is the SMILES notation for (Z)-indol-2-ylidenemethanolate?
The canonical SMILES for (Z)-indol-2-ylidenemethanolate is [O-]/C=C1/C=c2ccccc2=N1.
What is the InChIKey of (Z)-indol-2-ylidenemethanolate?
The InChIKey is IDTJTDMISOHUPJ-VURMDHGXSA-M. The full InChI is InChI=1S/C9H7NO/c11-6-8-5-7-3-1-2-4-9(7)10-8/h1-6,11H/p-1/b8-6-.
What are the key properties of (Z)-indol-2-ylidenemethanolate?
(Z)-indol-2-ylidenemethanolate has a molecular weight of 144.15 g/mol, XLogP of -0.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-indol-2-ylidenemethanolate is sourced from PubChem (CID 134894680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).