2-hydroxy-2-indol-1-yl-1-(1-methylpyrrol-2-yl)ethanone

C15H14N2O2 — CID 138976918

IUPAC2-hydroxy-2-indol-1-yl-1-(1-methylpyrrol-2-yl)ethanone
SMILESCn1cccc1C(=O)C(O)n1ccc2ccccc21
InChIInChI=1S/C15H14N2O2/c1-16-9-4-7-13(16)14(18)15(19)17-10-8-11-5-2-3-6-12(11)17/h2-10,15,19H,1H3
InChIKeyNFRZWJWOKASBEZ-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.35
Rot. Bonds3

About 2-hydroxy-2-indol-1-yl-1-(1-methylpyrrol-2-yl)ethanone

2-hydroxy-2-indol-1-yl-1-(1-methylpyrrol-2-yl)ethanone (PubChem CID 138976918) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-hydroxy-2-indol-1-yl-1-(1-methylpyrrol-2-yl)ethanone.

Molecular Properties

Compound Name2-hydroxy-2-indol-1-yl-1-(1-methylpyrrol-2-yl)ethanone
PubChem CID138976918
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name2-hydroxy-2-indol-1-yl-1-(1-methylpyrrol-2-yl)ethanone
SMILESCn1cccc1C(=O)C(O)n1ccc2ccccc21
InChIInChI=1S/C15H14N2O2/c1-16-9-4-7-13(16)14(18)15(19)17-10-8-11-5-2-3-6-12(11)17/h2-10,15,19H,1H3
InChIKeyNFRZWJWOKASBEZ-UHFFFAOYSA-N
XLogP2.35
TPSA47.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;1-methylindole;oxalyl dichloride
CID 90879364
N-(3-indol-1-ylpropyl)-1-methylpyrrole-2-carboxamide
CID 78799397
2-hydroxy-1-(1-methylpyrrol-2-yl)-2-thiophen-3-ylethanone
CID 10489172
N-butan-2-yl-2-indol-1-ylpropanamide
CID 113233604
1-methylpyrrole-2-carboxylic acid;hydrochloride
CID 69426436
1-methylpyrrole-2-carbonyl fluoride
CID 119090351
1-indol-1-ylethanone;hydrochloride
CID 21333501
ethane;1-methylindole
CID 91600075
1-methylpyrrole-2-carboxamide;hydrochloride
CID 21428931
1-[(2S)-butan-2-yl]indole
CID 124507288
5-(1-indol-1-ylethyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 170838346
1-indol-1-yl-2-methylpropan-1-one
CID 12637473

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-indol-1-yl-1-(1-methylpyrrol-2-yl)ethanone?
The IUPAC name of 2-hydroxy-2-indol-1-yl-1-(1-methylpyrrol-2-yl)ethanone (CID 138976918) is 2-hydroxy-2-indol-1-yl-1-(1-methylpyrrol-2-yl)ethanone.
What is the SMILES notation for 2-hydroxy-2-indol-1-yl-1-(1-methylpyrrol-2-yl)ethanone?
The canonical SMILES for 2-hydroxy-2-indol-1-yl-1-(1-methylpyrrol-2-yl)ethanone is Cn1cccc1C(=O)C(O)n1ccc2ccccc21.
What is the InChIKey of 2-hydroxy-2-indol-1-yl-1-(1-methylpyrrol-2-yl)ethanone?
The InChIKey is NFRZWJWOKASBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-16-9-4-7-13(16)14(18)15(19)17-10-8-11-5-2-3-6-12(11)17/h2-10,15,19H,1H3.
What are the key properties of 2-hydroxy-2-indol-1-yl-1-(1-methylpyrrol-2-yl)ethanone?
2-hydroxy-2-indol-1-yl-1-(1-methylpyrrol-2-yl)ethanone has a molecular weight of 254.29 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-indol-1-yl-1-(1-methylpyrrol-2-yl)ethanone is sourced from PubChem (CID 138976918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).