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

C12H19N3O — CID 115270635

IUPAC[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone
SMILESCNCC1(C)CCCN1C(=O)c1cc[nH]c1
InChIInChI=1S/C12H19N3O/c1-12(9-13-2)5-3-7-15(12)11(16)10-4-6-14-8-10/h4,6,8,13-14H,3,5,7,9H2,1-2H3
InChIKeyVFOXIJATGNYYTM-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.23
Rot. Bonds3

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

[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone (PubChem CID 115270635) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is [2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Name[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone
PubChem CID115270635
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone
SMILESCNCC1(C)CCCN1C(=O)c1cc[nH]c1
InChIInChI=1S/C12H19N3O/c1-12(9-13-2)5-3-7-15(12)11(16)10-4-6-14-8-10/h4,6,8,13-14H,3,5,7,9H2,1-2H3
InChIKeyVFOXIJATGNYYTM-UHFFFAOYSA-N
XLogP1.23
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone?
The IUPAC name of [2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone (CID 115270635) is [2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone.
What is the SMILES notation for [2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone?
The canonical SMILES for [2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone is CNCC1(C)CCCN1C(=O)c1cc[nH]c1.
What is the InChIKey of [2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone?
The InChIKey is VFOXIJATGNYYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-12(9-13-2)5-3-7-15(12)11(16)10-4-6-14-8-10/h4,6,8,13-14H,3,5,7,9H2,1-2H3.
What are the key properties of [2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone?
[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone has a molecular weight of 221.30 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 115270635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).