1-pyrrolidin-1-yl-7-thiophen-3-ylheptan-1-one

C15H23NOS — CID 155562244

IUPAC1-pyrrolidin-1-yl-7-thiophen-3-ylheptan-1-one
SMILESO=C(CCCCCCc1ccsc1)N1CCCC1
InChIInChI=1S/C15H23NOS/c17-15(16-10-5-6-11-16)8-4-2-1-3-7-14-9-12-18-13-14/h9,12-13H,1-8,10-11H2
InChIKeyKOQUCVOBYNEOCX-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.86
Rot. Bonds7

About 1-pyrrolidin-1-yl-7-thiophen-3-ylheptan-1-one

1-pyrrolidin-1-yl-7-thiophen-3-ylheptan-1-one (PubChem CID 155562244) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-7-thiophen-3-ylheptan-1-one.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-7-thiophen-3-ylheptan-1-one
PubChem CID155562244
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name1-pyrrolidin-1-yl-7-thiophen-3-ylheptan-1-one
SMILESO=C(CCCCCCc1ccsc1)N1CCCC1
InChIInChI=1S/C15H23NOS/c17-15(16-10-5-6-11-16)8-4-2-1-3-7-14-9-12-18-13-14/h9,12-13H,1-8,10-11H2
InChIKeyKOQUCVOBYNEOCX-UHFFFAOYSA-N
XLogP3.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

15-(4-hydroxyphenyl)-1-pyrrolidin-1-ylpentadecan-1-one
CID 11794613
11-phenyl-1-pyrrolidin-1-ylundecan-1-one
CID 10805309
1-(azocan-1-yl)-2-thiophen-3-ylethanone
CID 112769654
6-thiophen-3-ylhexanoic acid
CID 24722734
5-thiophen-3-ylpentanamide
CID 11171370
15-(3,4-dihydroxyphenyl)-1-pyrrolidin-1-ylpentadecan-1-one
CID 10573249
(3S)-1-(3-thiophen-3-ylpropanoyl)piperidine-3-carboxylic acid
CID 119173609
5-(4-chlorophenyl)-1-piperidin-1-ylpentan-1-one
CID 56982056
13-(4-methoxyphenyl)-1-pyrrolidin-1-yltridecan-1-one
CID 11793763
5-chloro-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentan-1-one
CID 54874778
7-(3-methylphenyl)-1-pyrrolidin-1-ylheptan-1-one
CID 155528442
1,12-bis(azonan-1-yl)dodecane-1,12-dione
CID 20752244

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-7-thiophen-3-ylheptan-1-one?
The IUPAC name of 1-pyrrolidin-1-yl-7-thiophen-3-ylheptan-1-one (CID 155562244) is 1-pyrrolidin-1-yl-7-thiophen-3-ylheptan-1-one.
What is the SMILES notation for 1-pyrrolidin-1-yl-7-thiophen-3-ylheptan-1-one?
The canonical SMILES for 1-pyrrolidin-1-yl-7-thiophen-3-ylheptan-1-one is O=C(CCCCCCc1ccsc1)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-7-thiophen-3-ylheptan-1-one?
The InChIKey is KOQUCVOBYNEOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c17-15(16-10-5-6-11-16)8-4-2-1-3-7-14-9-12-18-13-14/h9,12-13H,1-8,10-11H2.
What are the key properties of 1-pyrrolidin-1-yl-7-thiophen-3-ylheptan-1-one?
1-pyrrolidin-1-yl-7-thiophen-3-ylheptan-1-one has a molecular weight of 265.42 g/mol, XLogP of 3.86, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-7-thiophen-3-ylheptan-1-one is sourced from PubChem (CID 155562244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).