3-[(3-methyl-4-pyrrolidin-1-ylphenyl)iminomethyl]-1H-indol-2-ol

C20H21N3O — CID 135605363

IUPAC3-[(3-methyl-4-pyrrolidin-1-ylphenyl)iminomethyl]-1H-indol-2-ol
SMILESCc1cc(/N=C/c2c(O)[nH]c3ccccc23)ccc1N1CCCC1
InChIInChI=1S/C20H21N3O/c1-14-12-15(8-9-19(14)23-10-4-5-11-23)21-13-17-16-6-2-3-7-18(16)22-20(17)24/h2-3,6-9,12-13,22,24H,4-5,10-11H2,1H3/b21-13+
InChIKeyQGWSYGIHZWQZRQ-FYJGNVAPSA-N
MW319.41 g/mol
LogP4.53
Rot. Bonds3

About 3-[(3-methyl-4-pyrrolidin-1-ylphenyl)iminomethyl]-1H-indol-2-ol

3-[(3-methyl-4-pyrrolidin-1-ylphenyl)iminomethyl]-1H-indol-2-ol (PubChem CID 135605363) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-[(3-methyl-4-pyrrolidin-1-ylphenyl)iminomethyl]-1H-indol-2-ol.

Molecular Properties

Compound Name3-[(3-methyl-4-pyrrolidin-1-ylphenyl)iminomethyl]-1H-indol-2-ol
PubChem CID135605363
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name3-[(3-methyl-4-pyrrolidin-1-ylphenyl)iminomethyl]-1H-indol-2-ol
SMILESCc1cc(/N=C/c2c(O)[nH]c3ccccc23)ccc1N1CCCC1
InChIInChI=1S/C20H21N3O/c1-14-12-15(8-9-19(14)23-10-4-5-11-23)21-13-17-16-6-2-3-7-18(16)22-20(17)24/h2-3,6-9,12-13,22,24H,4-5,10-11H2,1H3/b21-13+
InChIKeyQGWSYGIHZWQZRQ-FYJGNVAPSA-N
XLogP4.53
TPSA51.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyl-4-pyrrolidin-1-ylphenyl)iminomethyl]-1H-indol-2-ol?
The IUPAC name of 3-[(3-methyl-4-pyrrolidin-1-ylphenyl)iminomethyl]-1H-indol-2-ol (CID 135605363) is 3-[(3-methyl-4-pyrrolidin-1-ylphenyl)iminomethyl]-1H-indol-2-ol.
What is the SMILES notation for 3-[(3-methyl-4-pyrrolidin-1-ylphenyl)iminomethyl]-1H-indol-2-ol?
The canonical SMILES for 3-[(3-methyl-4-pyrrolidin-1-ylphenyl)iminomethyl]-1H-indol-2-ol is Cc1cc(/N=C/c2c(O)[nH]c3ccccc23)ccc1N1CCCC1.
What is the InChIKey of 3-[(3-methyl-4-pyrrolidin-1-ylphenyl)iminomethyl]-1H-indol-2-ol?
The InChIKey is QGWSYGIHZWQZRQ-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H21N3O/c1-14-12-15(8-9-19(14)23-10-4-5-11-23)21-13-17-16-6-2-3-7-18(16)22-20(17)24/h2-3,6-9,12-13,22,24H,4-5,10-11H2,1H3/b21-13+.
What are the key properties of 3-[(3-methyl-4-pyrrolidin-1-ylphenyl)iminomethyl]-1H-indol-2-ol?
3-[(3-methyl-4-pyrrolidin-1-ylphenyl)iminomethyl]-1H-indol-2-ol has a molecular weight of 319.41 g/mol, XLogP of 4.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyl-4-pyrrolidin-1-ylphenyl)iminomethyl]-1H-indol-2-ol is sourced from PubChem (CID 135605363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).