2-[cyclopropylmethyl(ethyl)amino]-1-(1H-pyrrol-2-yl)ethanone

C12H18N2O — CID 63956842

IUPAC2-[cyclopropylmethyl(ethyl)amino]-1-(1H-pyrrol-2-yl)ethanone
SMILESCCN(CC(=O)c1ccc[nH]1)CC1CC1
InChIInChI=1S/C12H18N2O/c1-2-14(8-10-5-6-10)9-12(15)11-4-3-7-13-11/h3-4,7,10,13H,2,5-6,8-9H2,1H3
InChIKeyNRCBZNHZBAVWEK-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.93
Rot. Bonds6

About 2-[cyclopropylmethyl(ethyl)amino]-1-(1H-pyrrol-2-yl)ethanone

2-[cyclopropylmethyl(ethyl)amino]-1-(1H-pyrrol-2-yl)ethanone (PubChem CID 63956842) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(ethyl)amino]-1-(1H-pyrrol-2-yl)ethanone.

Molecular Properties

Compound Name2-[cyclopropylmethyl(ethyl)amino]-1-(1H-pyrrol-2-yl)ethanone
PubChem CID63956842
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-[cyclopropylmethyl(ethyl)amino]-1-(1H-pyrrol-2-yl)ethanone
SMILESCCN(CC(=O)c1ccc[nH]1)CC1CC1
InChIInChI=1S/C12H18N2O/c1-2-14(8-10-5-6-10)9-12(15)11-4-3-7-13-11/h3-4,7,10,13H,2,5-6,8-9H2,1H3
InChIKeyNRCBZNHZBAVWEK-UHFFFAOYSA-N
XLogP1.93
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[cyclopropylmethyl(ethyl)amino]-1-(1H-pyrrol-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(ethyl)amino]-1-(1H-pyrrol-2-yl)ethanone?
The IUPAC name of 2-[cyclopropylmethyl(ethyl)amino]-1-(1H-pyrrol-2-yl)ethanone (CID 63956842) is 2-[cyclopropylmethyl(ethyl)amino]-1-(1H-pyrrol-2-yl)ethanone.
What is the SMILES notation for 2-[cyclopropylmethyl(ethyl)amino]-1-(1H-pyrrol-2-yl)ethanone?
The canonical SMILES for 2-[cyclopropylmethyl(ethyl)amino]-1-(1H-pyrrol-2-yl)ethanone is CCN(CC(=O)c1ccc[nH]1)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl(ethyl)amino]-1-(1H-pyrrol-2-yl)ethanone?
The InChIKey is NRCBZNHZBAVWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-2-14(8-10-5-6-10)9-12(15)11-4-3-7-13-11/h3-4,7,10,13H,2,5-6,8-9H2,1H3.
What are the key properties of 2-[cyclopropylmethyl(ethyl)amino]-1-(1H-pyrrol-2-yl)ethanone?
2-[cyclopropylmethyl(ethyl)amino]-1-(1H-pyrrol-2-yl)ethanone has a molecular weight of 206.29 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(ethyl)amino]-1-(1H-pyrrol-2-yl)ethanone is sourced from PubChem (CID 63956842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).