cyclopropyl-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]methanone

C12H18N2O — CID 79097328

IUPACcyclopropyl-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]methanone
SMILESCN(C)CCn1ccc(C(=O)C2CC2)c1
InChIInChI=1S/C12H18N2O/c1-13(2)7-8-14-6-5-11(9-14)12(15)10-3-4-10/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeySJDOUPGEJSOYMZ-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.64
Rot. Bonds5

About cyclopropyl-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]methanone

cyclopropyl-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]methanone (PubChem CID 79097328) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is cyclopropyl-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]methanone
PubChem CID79097328
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Namecyclopropyl-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]methanone
SMILESCN(C)CCn1ccc(C(=O)C2CC2)c1
InChIInChI=1S/C12H18N2O/c1-13(2)7-8-14-6-5-11(9-14)12(15)10-3-4-10/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeySJDOUPGEJSOYMZ-UHFFFAOYSA-N
XLogP1.64
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]methanone?
The IUPAC name of cyclopropyl-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]methanone (CID 79097328) is cyclopropyl-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]methanone.
What is the SMILES notation for cyclopropyl-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]methanone?
The canonical SMILES for cyclopropyl-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]methanone is CN(C)CCn1ccc(C(=O)C2CC2)c1.
What is the InChIKey of cyclopropyl-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]methanone?
The InChIKey is SJDOUPGEJSOYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-13(2)7-8-14-6-5-11(9-14)12(15)10-3-4-10/h5-6,9-10H,3-4,7-8H2,1-2H3.
What are the key properties of cyclopropyl-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]methanone?
cyclopropyl-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]methanone has a molecular weight of 206.29 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]methanone is sourced from PubChem (CID 79097328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).