(2-methylpyrrolidin-3-yl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone

C14H21N3O — CID 79388531

IUPAC(2-methylpyrrolidin-3-yl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
SMILESCC1NCCC1C(=O)N1CCCC1c1ccc[nH]1
InChIInChI=1S/C14H21N3O/c1-10-11(6-8-15-10)14(18)17-9-3-5-13(17)12-4-2-7-16-12/h2,4,7,10-11,13,15-16H,3,5-6,8-9H2,1H3
InChIKeyLOXUMCJPNZCJEQ-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.68
Rot. Bonds2

About (2-methylpyrrolidin-3-yl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone

(2-methylpyrrolidin-3-yl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 79388531) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (2-methylpyrrolidin-3-yl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylpyrrolidin-3-yl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
PubChem CID79388531
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(2-methylpyrrolidin-3-yl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
SMILESCC1NCCC1C(=O)N1CCCC1c1ccc[nH]1
InChIInChI=1S/C14H21N3O/c1-10-11(6-8-15-10)14(18)17-9-3-5-13(17)12-4-2-7-16-12/h2,4,7,10-11,13,15-16H,3,5-6,8-9H2,1H3
InChIKeyLOXUMCJPNZCJEQ-UHFFFAOYSA-N
XLogP1.68
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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[4-(chloromethyl)phenyl]-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 60948438
3-[2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]benzonitrile
CID 47176526
(3-fluoro-4-pyridinyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of (2-methylpyrrolidin-3-yl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-methylpyrrolidin-3-yl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone (CID 79388531) is (2-methylpyrrolidin-3-yl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-methylpyrrolidin-3-yl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-methylpyrrolidin-3-yl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone is CC1NCCC1C(=O)N1CCCC1c1ccc[nH]1.
What is the InChIKey of (2-methylpyrrolidin-3-yl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is LOXUMCJPNZCJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-11(6-8-15-10)14(18)17-9-3-5-13(17)12-4-2-7-16-12/h2,4,7,10-11,13,15-16H,3,5-6,8-9H2,1H3.
What are the key properties of (2-methylpyrrolidin-3-yl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone?
(2-methylpyrrolidin-3-yl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 247.34 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrrolidin-3-yl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 79388531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).