2-(2-thiophen-2-ylcycloheptyl)acetonitrile

C13H17NS — CID 82242115

IUPAC2-(2-thiophen-2-ylcycloheptyl)acetonitrile
SMILESN#CCC1CCCCCC1c1cccs1
InChIInChI=1S/C13H17NS/c14-9-8-11-5-2-1-3-6-12(11)13-7-4-10-15-13/h4,7,10-12H,1-3,5-6,8H2
InChIKeyNSWDXJNZCSFZBU-UHFFFAOYSA-N
MW219.35 g/mol
LogP4.33
Rot. Bonds2

About 2-(2-thiophen-2-ylcycloheptyl)acetonitrile

2-(2-thiophen-2-ylcycloheptyl)acetonitrile (PubChem CID 82242115) has the molecular formula C13H17NS and a molecular weight of 219.35 g/mol. Its IUPAC name is 2-(2-thiophen-2-ylcycloheptyl)acetonitrile.

Molecular Properties

Compound Name2-(2-thiophen-2-ylcycloheptyl)acetonitrile
PubChem CID82242115
Molecular FormulaC13H17NS
Molecular Weight219.35 g/mol
Exact Mass219.11
IUPAC Name2-(2-thiophen-2-ylcycloheptyl)acetonitrile
SMILESN#CCC1CCCCCC1c1cccs1
InChIInChI=1S/C13H17NS/c14-9-8-11-5-2-1-3-6-12(11)13-7-4-10-15-13/h4,7,10-12H,1-3,5-6,8H2
InChIKeyNSWDXJNZCSFZBU-UHFFFAOYSA-N
XLogP4.33
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-thiophen-2-ylcyclopentyl)methanamine
CID 81010672
2-[2-(3-chlorophenyl)cycloheptyl]acetonitrile
CID 82244574
2-(6-thiophen-2-yloxan-2-yl)acetonitrile
CID 130585687
2-(2-pyridin-3-ylcyclohexyl)acetonitrile
CID 82241256
2-(2-thiophen-2-ylcycloheptyl)propan-1-amine
CID 82243482
2-(2-thiophen-2-ylcyclohexyl)propan-1-amine
CID 82242346
2-thiophen-2-ylcyclohexane-1-carboxylic acid
CID 79014995
cis-(1R,2S)-2-thiophen-2-ylcyclopropan-1-amine
CID 28901769
N-propyl-2-thiophen-2-ylcyclohexan-1-amine
CID 62603861
3-ethyl-4-thiophen-2-ylpiperidine
CID 79320840
2-(2-thiophen-2-ylcyclohexyl)propanoic acid
CID 82243540
2-thiophen-2-ylcyclopentane-1-carboxylic acid
CID 81008433

Frequently Asked Questions

What is the IUPAC name of 2-(2-thiophen-2-ylcycloheptyl)acetonitrile?
The IUPAC name of 2-(2-thiophen-2-ylcycloheptyl)acetonitrile (CID 82242115) is 2-(2-thiophen-2-ylcycloheptyl)acetonitrile.
What is the SMILES notation for 2-(2-thiophen-2-ylcycloheptyl)acetonitrile?
The canonical SMILES for 2-(2-thiophen-2-ylcycloheptyl)acetonitrile is N#CCC1CCCCCC1c1cccs1.
What is the InChIKey of 2-(2-thiophen-2-ylcycloheptyl)acetonitrile?
The InChIKey is NSWDXJNZCSFZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NS/c14-9-8-11-5-2-1-3-6-12(11)13-7-4-10-15-13/h4,7,10-12H,1-3,5-6,8H2.
What are the key properties of 2-(2-thiophen-2-ylcycloheptyl)acetonitrile?
2-(2-thiophen-2-ylcycloheptyl)acetonitrile has a molecular weight of 219.35 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiophen-2-ylcycloheptyl)acetonitrile is sourced from PubChem (CID 82242115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).