1-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propan-2-one

C12H17NOS — CID 79546734

IUPAC1-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCN1Cc1cccs1
InChIInChI=1S/C12H17NOS/c1-10(14)8-11-4-2-6-13(11)9-12-5-3-7-15-12/h3,5,7,11H,2,4,6,8-9H2,1H3
InChIKeyJRDPUBUJZFUGTQ-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.69
Rot. Bonds4

About 1-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propan-2-one

1-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propan-2-one (PubChem CID 79546734) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 1-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propan-2-one
PubChem CID79546734
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name1-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCN1Cc1cccs1
InChIInChI=1S/C12H17NOS/c1-10(14)8-11-4-2-6-13(11)9-12-5-3-7-15-12/h3,5,7,11H,2,4,6,8-9H2,1H3
InChIKeyJRDPUBUJZFUGTQ-UHFFFAOYSA-N
XLogP2.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-oxopropyl)pyrrolidin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 79541205
N-[[1-(thiophen-2-ylmethyl)piperidin-2-yl]methyl]propan-1-amine
CID 62580578
1-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]propan-2-one
CID 79547050
3-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911439
1-(1-ethylpyrrolidin-2-yl)-N-(thiophen-2-ylmethyl)methanamine;oxalic acid
CID 17053126
1-[1-[(3,4-dimethylphenyl)methyl]pyrrolidin-2-yl]propan-2-one
CID 79546159
1-[1-(pyrimidin-2-ylmethyl)piperidin-2-yl]propan-2-one
CID 79539105
2-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339333
1-[1-(2-phenylethyl)pyrrolidin-2-yl]propan-2-one
CID 79546481
1-[[(2S)-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]imidazole
CID 99825694
1-[1-(quinolin-4-ylmethyl)pyrrolidin-2-yl]propan-2-one
CID 79546140
2-[(2R)-1-benzylazepan-2-yl]-1-thiophen-2-ylethanone
CID 99978766

Frequently Asked Questions

What is the IUPAC name of 1-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propan-2-one?
The IUPAC name of 1-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propan-2-one (CID 79546734) is 1-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propan-2-one?
The canonical SMILES for 1-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propan-2-one is CC(=O)CC1CCCN1Cc1cccs1.
What is the InChIKey of 1-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propan-2-one?
The InChIKey is JRDPUBUJZFUGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-10(14)8-11-4-2-6-13(11)9-12-5-3-7-15-12/h3,5,7,11H,2,4,6,8-9H2,1H3.
What are the key properties of 1-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propan-2-one?
1-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propan-2-one has a molecular weight of 223.34 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propan-2-one is sourced from PubChem (CID 79546734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).