1-(1-methylpyrrol-3-yl)-2-pyrrolidin-1-ylethanone

C11H16N2O — CID 43227592

IUPAC1-(1-methylpyrrol-3-yl)-2-pyrrolidin-1-ylethanone
SMILESCn1ccc(C(=O)CN2CCCC2)c1
InChIInChI=1S/C11H16N2O/c1-12-7-4-10(8-12)11(14)9-13-5-2-3-6-13/h4,7-8H,2-3,5-6,9H2,1H3
InChIKeyJCTKGMYTONYVLV-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.30
Rot. Bonds3

About 1-(1-methylpyrrol-3-yl)-2-pyrrolidin-1-ylethanone

1-(1-methylpyrrol-3-yl)-2-pyrrolidin-1-ylethanone (PubChem CID 43227592) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-(1-methylpyrrol-3-yl)-2-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name1-(1-methylpyrrol-3-yl)-2-pyrrolidin-1-ylethanone
PubChem CID43227592
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-(1-methylpyrrol-3-yl)-2-pyrrolidin-1-ylethanone
SMILESCn1ccc(C(=O)CN2CCCC2)c1
InChIInChI=1S/C11H16N2O/c1-12-7-4-10(8-12)11(14)9-13-5-2-3-6-13/h4,7-8H,2-3,5-6,9H2,1H3
InChIKeyJCTKGMYTONYVLV-UHFFFAOYSA-N
XLogP1.30
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrol-3-yl)-2-pyrrolidin-1-ylethanone?
The IUPAC name of 1-(1-methylpyrrol-3-yl)-2-pyrrolidin-1-ylethanone (CID 43227592) is 1-(1-methylpyrrol-3-yl)-2-pyrrolidin-1-ylethanone.
What is the SMILES notation for 1-(1-methylpyrrol-3-yl)-2-pyrrolidin-1-ylethanone?
The canonical SMILES for 1-(1-methylpyrrol-3-yl)-2-pyrrolidin-1-ylethanone is Cn1ccc(C(=O)CN2CCCC2)c1.
What is the InChIKey of 1-(1-methylpyrrol-3-yl)-2-pyrrolidin-1-ylethanone?
The InChIKey is JCTKGMYTONYVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-12-7-4-10(8-12)11(14)9-13-5-2-3-6-13/h4,7-8H,2-3,5-6,9H2,1H3.
What are the key properties of 1-(1-methylpyrrol-3-yl)-2-pyrrolidin-1-ylethanone?
1-(1-methylpyrrol-3-yl)-2-pyrrolidin-1-ylethanone has a molecular weight of 192.26 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrol-3-yl)-2-pyrrolidin-1-ylethanone is sourced from PubChem (CID 43227592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).