(4-chloro-1-ethylpyrrol-2-yl)-(3-cyclobutylpyrrolidin-1-yl)methanone

C15H21ClN2O — CID 166254720

IUPAC(4-chloro-1-ethylpyrrol-2-yl)-(3-cyclobutylpyrrolidin-1-yl)methanone
SMILESCCn1cc(Cl)cc1C(=O)N1CCC(C2CCC2)C1
InChIInChI=1S/C15H21ClN2O/c1-2-17-10-13(16)8-14(17)15(19)18-7-6-12(9-18)11-4-3-5-11/h8,10-12H,2-7,9H2,1H3
InChIKeyHPINCSUMXXMNNU-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.42
Rot. Bonds3

About (4-chloro-1-ethylpyrrol-2-yl)-(3-cyclobutylpyrrolidin-1-yl)methanone

(4-chloro-1-ethylpyrrol-2-yl)-(3-cyclobutylpyrrolidin-1-yl)methanone (PubChem CID 166254720) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrrol-2-yl)-(3-cyclobutylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrrol-2-yl)-(3-cyclobutylpyrrolidin-1-yl)methanone
PubChem CID166254720
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name(4-chloro-1-ethylpyrrol-2-yl)-(3-cyclobutylpyrrolidin-1-yl)methanone
SMILESCCn1cc(Cl)cc1C(=O)N1CCC(C2CCC2)C1
InChIInChI=1S/C15H21ClN2O/c1-2-17-10-13(16)8-14(17)15(19)18-7-6-12(9-18)11-4-3-5-11/h8,10-12H,2-7,9H2,1H3
InChIKeyHPINCSUMXXMNNU-UHFFFAOYSA-N
XLogP3.42
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-1-ethylpyrrol-2-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62534647
(4-chloro-1-ethylpyrrol-2-yl)-(3,5-dimethylpiperazin-1-yl)methanone
CID 63872324
(4-chloro-1-propylpyrrol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291483
2-[4-(4-chloro-1-ethylpyrrole-2-carbonyl)piperazin-1-yl]-2-oxoacetic acid
CID 154769677
1-(4-chloro-1-ethylpyrrole-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63721380
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(4-chloro-1-ethylpyrrol-2-yl)methanone
CID 43639494
(4-chloro-1-propylpyrrol-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 113281905
1-(4-chloro-1-propylpyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 63032165
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(4-chloro-1-ethylpyrrol-2-yl)methanone
CID 80504285
methyl 2-[(4-chloro-1-ethylpyrrole-2-carbonyl)-cyclopentylamino]acetate
CID 115535669
(4-chloro-1-propylpyrrol-2-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80550757
(1-ethyl-4-nitropyrrol-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 115300193

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrrol-2-yl)-(3-cyclobutylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-chloro-1-ethylpyrrol-2-yl)-(3-cyclobutylpyrrolidin-1-yl)methanone (CID 166254720) is (4-chloro-1-ethylpyrrol-2-yl)-(3-cyclobutylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-chloro-1-ethylpyrrol-2-yl)-(3-cyclobutylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-chloro-1-ethylpyrrol-2-yl)-(3-cyclobutylpyrrolidin-1-yl)methanone is CCn1cc(Cl)cc1C(=O)N1CCC(C2CCC2)C1.
What is the InChIKey of (4-chloro-1-ethylpyrrol-2-yl)-(3-cyclobutylpyrrolidin-1-yl)methanone?
The InChIKey is HPINCSUMXXMNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-2-17-10-13(16)8-14(17)15(19)18-7-6-12(9-18)11-4-3-5-11/h8,10-12H,2-7,9H2,1H3.
What are the key properties of (4-chloro-1-ethylpyrrol-2-yl)-(3-cyclobutylpyrrolidin-1-yl)methanone?
(4-chloro-1-ethylpyrrol-2-yl)-(3-cyclobutylpyrrolidin-1-yl)methanone has a molecular weight of 280.80 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-ethylpyrrol-2-yl)-(3-cyclobutylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 166254720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).