1-pyrrolidin-1-yl-7-thiophen-2-ylheptan-1-one

C15H23NOS — CID 155523085

IUPAC1-pyrrolidin-1-yl-7-thiophen-2-ylheptan-1-one
SMILESO=C(CCCCCCc1cccs1)N1CCCC1
InChIInChI=1S/C15H23NOS/c17-15(16-11-5-6-12-16)10-4-2-1-3-8-14-9-7-13-18-14/h7,9,13H,1-6,8,10-12H2
InChIKeyHGGLDWSEQCSACO-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.86
Rot. Bonds7

About 1-pyrrolidin-1-yl-7-thiophen-2-ylheptan-1-one

1-pyrrolidin-1-yl-7-thiophen-2-ylheptan-1-one (PubChem CID 155523085) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-7-thiophen-2-ylheptan-1-one.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-7-thiophen-2-ylheptan-1-one
PubChem CID155523085
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name1-pyrrolidin-1-yl-7-thiophen-2-ylheptan-1-one
SMILESO=C(CCCCCCc1cccs1)N1CCCC1
InChIInChI=1S/C15H23NOS/c17-15(16-11-5-6-12-16)10-4-2-1-3-8-14-9-7-13-18-14/h7,9,13H,1-6,8,10-12H2
InChIKeyHGGLDWSEQCSACO-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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Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-7-thiophen-2-ylheptan-1-one?
The IUPAC name of 1-pyrrolidin-1-yl-7-thiophen-2-ylheptan-1-one (CID 155523085) is 1-pyrrolidin-1-yl-7-thiophen-2-ylheptan-1-one.
What is the SMILES notation for 1-pyrrolidin-1-yl-7-thiophen-2-ylheptan-1-one?
The canonical SMILES for 1-pyrrolidin-1-yl-7-thiophen-2-ylheptan-1-one is O=C(CCCCCCc1cccs1)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-7-thiophen-2-ylheptan-1-one?
The InChIKey is HGGLDWSEQCSACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c17-15(16-11-5-6-12-16)10-4-2-1-3-8-14-9-7-13-18-14/h7,9,13H,1-6,8,10-12H2.
What are the key properties of 1-pyrrolidin-1-yl-7-thiophen-2-ylheptan-1-one?
1-pyrrolidin-1-yl-7-thiophen-2-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-2-ylheptan-1-one is sourced from PubChem (CID 155523085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).