(1-propan-2-ylpyrrol-2-yl)-pyrrolidin-2-ylmethanone

C12H18N2O — CID 84734110

IUPAC(1-propan-2-ylpyrrol-2-yl)-pyrrolidin-2-ylmethanone
SMILESCC(C)n1cccc1C(=O)C1CCCN1
InChIInChI=1S/C12H18N2O/c1-9(2)14-8-4-6-11(14)12(15)10-5-3-7-13-10/h4,6,8-10,13H,3,5,7H2,1-2H3
InChIKeyLESUCPUNFXPNOC-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.00
Rot. Bonds3

About (1-propan-2-ylpyrrol-2-yl)-pyrrolidin-2-ylmethanone

(1-propan-2-ylpyrrol-2-yl)-pyrrolidin-2-ylmethanone (PubChem CID 84734110) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (1-propan-2-ylpyrrol-2-yl)-pyrrolidin-2-ylmethanone.

Molecular Properties

Compound Name(1-propan-2-ylpyrrol-2-yl)-pyrrolidin-2-ylmethanone
PubChem CID84734110
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(1-propan-2-ylpyrrol-2-yl)-pyrrolidin-2-ylmethanone
SMILESCC(C)n1cccc1C(=O)C1CCCN1
InChIInChI=1S/C12H18N2O/c1-9(2)14-8-4-6-11(14)12(15)10-5-3-7-13-10/h4,6,8-10,13H,3,5,7H2,1-2H3
InChIKeyLESUCPUNFXPNOC-UHFFFAOYSA-N
XLogP2.00
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-propan-2-ylpyrrol-2-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63256233
(1-propan-2-ylazetidin-3-yl) (2S)-pyrrolidine-2-carboxylate
CID 58029632
(2S)-N-(2,5-dimethylpyrrol-1-yl)pyrrolidine-2-carboxamide
CID 79100245
(2-methylpyrazol-3-yl)-piperidin-2-ylmethanone
CID 116547731
[4-(2-methylpropyl)phenyl]-pyrrolidin-2-ylmethanone
CID 64868969
[(2S)-pyrrolidin-2-yl]-(1H-pyrrol-2-yl)methanone
CID 140972419
1-(1-propan-2-ylpyrrole-2-carbonyl)azepane-2-carboxylic acid
CID 64561262
N-(2-cyclopropyl-2-oxoethyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 136529784
2,2,2-trifluoro-1-(1-propan-2-ylpyrrol-2-yl)ethanone
CID 45081000
phenyl(piperidin-2-yl)methanone
CID 19772085
(2-fluorophenyl)-[(2R)-pyrrolidin-2-yl]methanone
CID 89281976
[(2S)-pyrrolidin-2-yl]-thiophen-2-ylmethanone
CID 42076584

Frequently Asked Questions

What is the IUPAC name of (1-propan-2-ylpyrrol-2-yl)-pyrrolidin-2-ylmethanone?
The IUPAC name of (1-propan-2-ylpyrrol-2-yl)-pyrrolidin-2-ylmethanone (CID 84734110) is (1-propan-2-ylpyrrol-2-yl)-pyrrolidin-2-ylmethanone.
What is the SMILES notation for (1-propan-2-ylpyrrol-2-yl)-pyrrolidin-2-ylmethanone?
The canonical SMILES for (1-propan-2-ylpyrrol-2-yl)-pyrrolidin-2-ylmethanone is CC(C)n1cccc1C(=O)C1CCCN1.
What is the InChIKey of (1-propan-2-ylpyrrol-2-yl)-pyrrolidin-2-ylmethanone?
The InChIKey is LESUCPUNFXPNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9(2)14-8-4-6-11(14)12(15)10-5-3-7-13-10/h4,6,8-10,13H,3,5,7H2,1-2H3.
What are the key properties of (1-propan-2-ylpyrrol-2-yl)-pyrrolidin-2-ylmethanone?
(1-propan-2-ylpyrrol-2-yl)-pyrrolidin-2-ylmethanone has a molecular weight of 206.29 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-ylpyrrol-2-yl)-pyrrolidin-2-ylmethanone is sourced from PubChem (CID 84734110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).