(3-bromothiophen-2-yl)-(3-propylpyrrolidin-3-yl)methanone

C12H16BrNOS — CID 116570545

IUPAC(3-bromothiophen-2-yl)-(3-propylpyrrolidin-3-yl)methanone
SMILESCCCC1(C(=O)c2sccc2Br)CCNC1
InChIInChI=1S/C12H16BrNOS/c1-2-4-12(5-6-14-8-12)11(15)10-9(13)3-7-16-10/h3,7,14H,2,4-6,8H2,1H3
InChIKeyGGCFHFNLGNGECC-UHFFFAOYSA-N
MW302.24 g/mol
LogP3.47
Rot. Bonds4

About (3-bromothiophen-2-yl)-(3-propylpyrrolidin-3-yl)methanone

(3-bromothiophen-2-yl)-(3-propylpyrrolidin-3-yl)methanone (PubChem CID 116570545) has the molecular formula C12H16BrNOS and a molecular weight of 302.24 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-(3-propylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-(3-propylpyrrolidin-3-yl)methanone
PubChem CID116570545
Molecular FormulaC12H16BrNOS
Molecular Weight302.24 g/mol
Exact Mass301.01
IUPAC Name(3-bromothiophen-2-yl)-(3-propylpyrrolidin-3-yl)methanone
SMILESCCCC1(C(=O)c2sccc2Br)CCNC1
InChIInChI=1S/C12H16BrNOS/c1-2-4-12(5-6-14-8-12)11(15)10-9(13)3-7-16-10/h3,7,14H,2,4-6,8H2,1H3
InChIKeyGGCFHFNLGNGECC-UHFFFAOYSA-N
XLogP3.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromothiophen-2-yl)-(4-ethylpiperidin-4-yl)methanone
CID 116568008
(3-propylpyrrolidin-3-yl)-thiophen-2-ylmethanone
CID 67327801
(4-bromo-3-chloro-2-fluorophenyl)-(3-propylpyrrolidin-3-yl)methanone
CID 106763982
(3-chloro-1-benzothiophen-2-yl)-(3-propylpyrrolidin-3-yl)methanone
CID 59744948
N-(2-bromo-5-chlorophenyl)-3-propylpyrrolidine-3-carboxamide
CID 81271547
N-(3-bromophenyl)-3-propylpyrrolidine-3-carboxamide
CID 55164937
2-(3-bromothiophen-2-yl)-1-(3-ethylpiperidin-3-yl)ethanone
CID 116568661
(4-propoxyphenyl)-(3-propylpyrrolidin-3-yl)methanone
CID 116570590
3-propyl-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-3-carboxamide
CID 81408896
(3-bromothiophen-2-yl)-(2-methylpyrrolidin-2-yl)methanone
CID 116580442
N,N-bis(2-amino-2-oxoethyl)-3-propylpyrrolidine-3-carboxamide
CID 63142003
bis((3,4-dichlorophenyl)-[(3S)-3-propylpyrrolidin-3-yl]methanone);methane;hydrochloride;hydroiodide
CID 169427811

Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-(3-propylpyrrolidin-3-yl)methanone?
The IUPAC name of (3-bromothiophen-2-yl)-(3-propylpyrrolidin-3-yl)methanone (CID 116570545) is (3-bromothiophen-2-yl)-(3-propylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (3-bromothiophen-2-yl)-(3-propylpyrrolidin-3-yl)methanone?
The canonical SMILES for (3-bromothiophen-2-yl)-(3-propylpyrrolidin-3-yl)methanone is CCCC1(C(=O)c2sccc2Br)CCNC1.
What is the InChIKey of (3-bromothiophen-2-yl)-(3-propylpyrrolidin-3-yl)methanone?
The InChIKey is GGCFHFNLGNGECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNOS/c1-2-4-12(5-6-14-8-12)11(15)10-9(13)3-7-16-10/h3,7,14H,2,4-6,8H2,1H3.
What are the key properties of (3-bromothiophen-2-yl)-(3-propylpyrrolidin-3-yl)methanone?
(3-bromothiophen-2-yl)-(3-propylpyrrolidin-3-yl)methanone has a molecular weight of 302.24 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromothiophen-2-yl)-(3-propylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 116570545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).