1-(thiophen-3-ylmethyl)cyclopentane-1-carbonitrile

C11H13NS — CID 65377433

IUPAC1-(thiophen-3-ylmethyl)cyclopentane-1-carbonitrile
SMILESN#CC1(Cc2ccsc2)CCCC1
InChIInChI=1S/C11H13NS/c12-9-11(4-1-2-5-11)7-10-3-6-13-8-10/h3,6,8H,1-2,4-5,7H2
InChIKeyYPACPVRQNNSEIN-UHFFFAOYSA-N
MW191.30 g/mol
LogP3.37
Rot. Bonds2

About 1-(thiophen-3-ylmethyl)cyclopentane-1-carbonitrile

1-(thiophen-3-ylmethyl)cyclopentane-1-carbonitrile (PubChem CID 65377433) has the molecular formula C11H13NS and a molecular weight of 191.30 g/mol. Its IUPAC name is 1-(thiophen-3-ylmethyl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(thiophen-3-ylmethyl)cyclopentane-1-carbonitrile
PubChem CID65377433
Molecular FormulaC11H13NS
Molecular Weight191.30 g/mol
Exact Mass191.08
IUPAC Name1-(thiophen-3-ylmethyl)cyclopentane-1-carbonitrile
SMILESN#CC1(Cc2ccsc2)CCCC1
InChIInChI=1S/C11H13NS/c12-9-11(4-1-2-5-11)7-10-3-6-13-8-10/h3,6,8H,1-2,4-5,7H2
InChIKeyYPACPVRQNNSEIN-UHFFFAOYSA-N
XLogP3.37
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(thiophen-3-ylmethyl)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(thiophen-3-ylmethyl)cyclopentane-1-carbonitrile (CID 65377433) is 1-(thiophen-3-ylmethyl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(thiophen-3-ylmethyl)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(thiophen-3-ylmethyl)cyclopentane-1-carbonitrile is N#CC1(Cc2ccsc2)CCCC1.
What is the InChIKey of 1-(thiophen-3-ylmethyl)cyclopentane-1-carbonitrile?
The InChIKey is YPACPVRQNNSEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NS/c12-9-11(4-1-2-5-11)7-10-3-6-13-8-10/h3,6,8H,1-2,4-5,7H2.
What are the key properties of 1-(thiophen-3-ylmethyl)cyclopentane-1-carbonitrile?
1-(thiophen-3-ylmethyl)cyclopentane-1-carbonitrile has a molecular weight of 191.30 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophen-3-ylmethyl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 65377433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).