(1-methyl-5-phenylpyrrol-2-yl)-[(2R)-2-propyl-2,5-dihydropyrrol-1-yl]methanone

C19H22N2O — CID 99928048

IUPAC(1-methyl-5-phenylpyrrol-2-yl)-[(2R)-2-propyl-2,5-dihydropyrrol-1-yl]methanone
SMILESCCC[C@@H]1C=CCN1C(=O)c1ccc(-c2ccccc2)n1C
InChIInChI=1S/C19H22N2O/c1-3-8-16-11-7-14-21(16)19(22)18-13-12-17(20(18)2)15-9-5-4-6-10-15/h4-7,9-13,16H,3,8,14H2,1-2H3/t16-/m1/s1
InChIKeyJSWGMEGJVCMEBQ-MRXNPFEDSA-N
MW294.40 g/mol
LogP3.87
Rot. Bonds4

About (1-methyl-5-phenylpyrrol-2-yl)-[(2R)-2-propyl-2,5-dihydropyrrol-1-yl]methanone

(1-methyl-5-phenylpyrrol-2-yl)-[(2R)-2-propyl-2,5-dihydropyrrol-1-yl]methanone (PubChem CID 99928048) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is (1-methyl-5-phenylpyrrol-2-yl)-[(2R)-2-propyl-2,5-dihydropyrrol-1-yl]methanone.

Molecular Properties

Compound Name(1-methyl-5-phenylpyrrol-2-yl)-[(2R)-2-propyl-2,5-dihydropyrrol-1-yl]methanone
PubChem CID99928048
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name(1-methyl-5-phenylpyrrol-2-yl)-[(2R)-2-propyl-2,5-dihydropyrrol-1-yl]methanone
SMILESCCC[C@@H]1C=CCN1C(=O)c1ccc(-c2ccccc2)n1C
InChIInChI=1S/C19H22N2O/c1-3-8-16-11-7-14-21(16)19(22)18-13-12-17(20(18)2)15-9-5-4-6-10-15/h4-7,9-13,16H,3,8,14H2,1-2H3/t16-/m1/s1
InChIKeyJSWGMEGJVCMEBQ-MRXNPFEDSA-N
XLogP3.87
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-5-phenylpyrrol-2-yl)-[(2R)-2-propyl-2,5-dihydropyrrol-1-yl]methanone?
The IUPAC name of (1-methyl-5-phenylpyrrol-2-yl)-[(2R)-2-propyl-2,5-dihydropyrrol-1-yl]methanone (CID 99928048) is (1-methyl-5-phenylpyrrol-2-yl)-[(2R)-2-propyl-2,5-dihydropyrrol-1-yl]methanone.
What is the SMILES notation for (1-methyl-5-phenylpyrrol-2-yl)-[(2R)-2-propyl-2,5-dihydropyrrol-1-yl]methanone?
The canonical SMILES for (1-methyl-5-phenylpyrrol-2-yl)-[(2R)-2-propyl-2,5-dihydropyrrol-1-yl]methanone is CCC[C@@H]1C=CCN1C(=O)c1ccc(-c2ccccc2)n1C.
What is the InChIKey of (1-methyl-5-phenylpyrrol-2-yl)-[(2R)-2-propyl-2,5-dihydropyrrol-1-yl]methanone?
The InChIKey is JSWGMEGJVCMEBQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22N2O/c1-3-8-16-11-7-14-21(16)19(22)18-13-12-17(20(18)2)15-9-5-4-6-10-15/h4-7,9-13,16H,3,8,14H2,1-2H3/t16-/m1/s1.
What are the key properties of (1-methyl-5-phenylpyrrol-2-yl)-[(2R)-2-propyl-2,5-dihydropyrrol-1-yl]methanone?
(1-methyl-5-phenylpyrrol-2-yl)-[(2R)-2-propyl-2,5-dihydropyrrol-1-yl]methanone has a molecular weight of 294.40 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-5-phenylpyrrol-2-yl)-[(2R)-2-propyl-2,5-dihydropyrrol-1-yl]methanone is sourced from PubChem (CID 99928048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).