1-[(3-chlorothiophen-2-yl)methyl]pyrrolidin-3-ol

C9H12ClNOS — CID 130511552

IUPAC1-[(3-chlorothiophen-2-yl)methyl]pyrrolidin-3-ol
SMILESOC1CCN(Cc2sccc2Cl)C1
InChIInChI=1S/C9H12ClNOS/c10-8-2-4-13-9(8)6-11-3-1-7(12)5-11/h2,4,7,12H,1,3,5-6H2
InChIKeyFGRFCACEZVJEHB-UHFFFAOYSA-N
MW217.72 g/mol
LogP1.97
Rot. Bonds2

About 1-[(3-chlorothiophen-2-yl)methyl]pyrrolidin-3-ol

1-[(3-chlorothiophen-2-yl)methyl]pyrrolidin-3-ol (PubChem CID 130511552) has the molecular formula C9H12ClNOS and a molecular weight of 217.72 g/mol. Its IUPAC name is 1-[(3-chlorothiophen-2-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(3-chlorothiophen-2-yl)methyl]pyrrolidin-3-ol
PubChem CID130511552
Molecular FormulaC9H12ClNOS
Molecular Weight217.72 g/mol
Exact Mass217.03
IUPAC Name1-[(3-chlorothiophen-2-yl)methyl]pyrrolidin-3-ol
SMILESOC1CCN(Cc2sccc2Cl)C1
InChIInChI=1S/C9H12ClNOS/c10-8-2-4-13-9(8)6-11-3-1-7(12)5-11/h2,4,7,12H,1,3,5-6H2
InChIKeyFGRFCACEZVJEHB-UHFFFAOYSA-N
XLogP1.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.72
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]pyrrolidin-3-ol
CID 62941734
4-bromo-1-[(3-chlorothiophen-2-yl)methyl]azepane
CID 131067632
2-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanamine
CID 120846234
1-(thiophen-3-ylmethyl)pyrrolidin-3-ol
CID 62916311
2-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120846233
1-[(3-chlorothiophen-2-yl)methyl]piperazine;hydrochloride
CID 120833625
N-[(1S)-1-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-4-yl]ethyl]acetamide
CID 100702776
2-[3-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 119070014
(3S)-1-[(3-bromo-4-chlorophenyl)methyl]pyrrolidin-3-ol
CID 103917989
(3S)-1-[(4-bromophenyl)methyl]pyrrolidin-3-ol
CID 59424626
(3S)-1-[(3-chloro-2-methylphenyl)methyl]pyrrolidin-3-ol
CID 93478443
(3S)-1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-ol
CID 79031489

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorothiophen-2-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[(3-chlorothiophen-2-yl)methyl]pyrrolidin-3-ol (CID 130511552) is 1-[(3-chlorothiophen-2-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[(3-chlorothiophen-2-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[(3-chlorothiophen-2-yl)methyl]pyrrolidin-3-ol is OC1CCN(Cc2sccc2Cl)C1.
What is the InChIKey of 1-[(3-chlorothiophen-2-yl)methyl]pyrrolidin-3-ol?
The InChIKey is FGRFCACEZVJEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNOS/c10-8-2-4-13-9(8)6-11-3-1-7(12)5-11/h2,4,7,12H,1,3,5-6H2.
What are the key properties of 1-[(3-chlorothiophen-2-yl)methyl]pyrrolidin-3-ol?
1-[(3-chlorothiophen-2-yl)methyl]pyrrolidin-3-ol has a molecular weight of 217.72 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorothiophen-2-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 130511552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).