(4-chloro-1-propylpyrrol-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone

C13H20ClN3O — CID 113281905

IUPAC(4-chloro-1-propylpyrrol-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone
SMILESCCCn1cc(Cl)cc1C(=O)N1CCC(NC)C1
InChIInChI=1S/C13H20ClN3O/c1-3-5-16-8-10(14)7-12(16)13(18)17-6-4-11(9-17)15-2/h7-8,11,15H,3-6,9H2,1-2H3
InChIKeyZSIWJNJYBJTLDF-UHFFFAOYSA-N
MW269.78 g/mol
LogP1.99
Rot. Bonds4

About (4-chloro-1-propylpyrrol-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone

(4-chloro-1-propylpyrrol-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone (PubChem CID 113281905) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is (4-chloro-1-propylpyrrol-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1-propylpyrrol-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone
PubChem CID113281905
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name(4-chloro-1-propylpyrrol-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone
SMILESCCCn1cc(Cl)cc1C(=O)N1CCC(NC)C1
InChIInChI=1S/C13H20ClN3O/c1-3-5-16-8-10(14)7-12(16)13(18)17-6-4-11(9-17)15-2/h7-8,11,15H,3-6,9H2,1-2H3
InChIKeyZSIWJNJYBJTLDF-UHFFFAOYSA-N
XLogP1.99
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propylpyrrol-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-chloro-1-propylpyrrol-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone (CID 113281905) is (4-chloro-1-propylpyrrol-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-chloro-1-propylpyrrol-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-chloro-1-propylpyrrol-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone is CCCn1cc(Cl)cc1C(=O)N1CCC(NC)C1.
What is the InChIKey of (4-chloro-1-propylpyrrol-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone?
The InChIKey is ZSIWJNJYBJTLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-3-5-16-8-10(14)7-12(16)13(18)17-6-4-11(9-17)15-2/h7-8,11,15H,3-6,9H2,1-2H3.
What are the key properties of (4-chloro-1-propylpyrrol-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone?
(4-chloro-1-propylpyrrol-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone has a molecular weight of 269.78 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propylpyrrol-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 113281905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).