2-(1-aminocyclohexyl)-1-(1H-pyrrol-2-yl)ethanone

C12H18N2O — CID 130527832

IUPAC2-(1-aminocyclohexyl)-1-(1H-pyrrol-2-yl)ethanone
SMILESNC1(CC(=O)c2ccc[nH]2)CCCCC1
InChIInChI=1S/C12H18N2O/c13-12(6-2-1-3-7-12)9-11(15)10-5-4-8-14-10/h4-5,8,14H,1-3,6-7,9,13H2
InChIKeyZWFLUCMFCQLRIF-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.25
Rot. Bonds3

About 2-(1-aminocyclohexyl)-1-(1H-pyrrol-2-yl)ethanone

2-(1-aminocyclohexyl)-1-(1H-pyrrol-2-yl)ethanone (PubChem CID 130527832) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-1-(1H-pyrrol-2-yl)ethanone.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-1-(1H-pyrrol-2-yl)ethanone
PubChem CID130527832
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-(1-aminocyclohexyl)-1-(1H-pyrrol-2-yl)ethanone
SMILESNC1(CC(=O)c2ccc[nH]2)CCCCC1
InChIInChI=1S/C12H18N2O/c13-12(6-2-1-3-7-12)9-11(15)10-5-4-8-14-10/h4-5,8,14H,1-3,6-7,9,13H2
InChIKeyZWFLUCMFCQLRIF-UHFFFAOYSA-N
XLogP2.25
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(1-aminocyclohexyl)-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-(1-aminocyclohexyl)-1-(1H-pyrrol-2-yl)ethanone?
The IUPAC name of 2-(1-aminocyclohexyl)-1-(1H-pyrrol-2-yl)ethanone (CID 130527832) is 2-(1-aminocyclohexyl)-1-(1H-pyrrol-2-yl)ethanone.
What is the SMILES notation for 2-(1-aminocyclohexyl)-1-(1H-pyrrol-2-yl)ethanone?
The canonical SMILES for 2-(1-aminocyclohexyl)-1-(1H-pyrrol-2-yl)ethanone is NC1(CC(=O)c2ccc[nH]2)CCCCC1.
What is the InChIKey of 2-(1-aminocyclohexyl)-1-(1H-pyrrol-2-yl)ethanone?
The InChIKey is ZWFLUCMFCQLRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c13-12(6-2-1-3-7-12)9-11(15)10-5-4-8-14-10/h4-5,8,14H,1-3,6-7,9,13H2.
What are the key properties of 2-(1-aminocyclohexyl)-1-(1H-pyrrol-2-yl)ethanone?
2-(1-aminocyclohexyl)-1-(1H-pyrrol-2-yl)ethanone has a molecular weight of 206.29 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-1-(1H-pyrrol-2-yl)ethanone is sourced from PubChem (CID 130527832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).