(2-methoxyphenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone

C16H18N2O2 — CID 110873124

IUPAC(2-methoxyphenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCCC1c1ccc[nH]1
InChIInChI=1S/C16H18N2O2/c1-20-15-9-3-2-6-12(15)16(19)18-11-5-8-14(18)13-7-4-10-17-13/h2-4,6-7,9-10,14,17H,5,8,11H2,1H3
InChIKeyYLAZLBYZPNTJDH-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.00
Rot. Bonds3

About (2-methoxyphenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone

(2-methoxyphenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 110873124) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is (2-methoxyphenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
PubChem CID110873124
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name(2-methoxyphenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCCC1c1ccc[nH]1
InChIInChI=1S/C16H18N2O2/c1-20-15-9-3-2-6-12(15)16(19)18-11-5-8-14(18)13-7-4-10-17-13/h2-4,6-7,9-10,14,17H,5,8,11H2,1H3
InChIKeyYLAZLBYZPNTJDH-UHFFFAOYSA-N
XLogP3.00
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-fluorophenyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 50747061
(2-methoxyphenyl)-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 78834014
(4-fluoro-2-methylphenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 115745671
(2-methoxyphenyl)-[(2R)-2-(3-methylphenyl)pyrrolidin-1-yl]methanone
CID 95053415
(3-amino-2-chlorophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 115930359
(5-bromo-2-methylphenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 65309796
(3-amino-5-methoxyphenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 81093488
(5-chloro-2-fluorophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 47028453
2-(2,4-dimethoxyphenyl)-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone
CID 56812244
2-methyl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 47323235
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 28706937
(2-methoxyphenyl)-[2-(sulfanylmethyl)pyrrolidin-1-yl]methanone
CID 20623537

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-methoxyphenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone (CID 110873124) is (2-methoxyphenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone is COc1ccccc1C(=O)N1CCCC1c1ccc[nH]1.
What is the InChIKey of (2-methoxyphenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is YLAZLBYZPNTJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-20-15-9-3-2-6-12(15)16(19)18-11-5-8-14(18)13-7-4-10-17-13/h2-4,6-7,9-10,14,17H,5,8,11H2,1H3.
What are the key properties of (2-methoxyphenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone?
(2-methoxyphenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 270.33 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110873124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).