2-(1-ethynylcyclopentyl)-1H-pyrrole

C11H13N — CID 121217799

IUPAC2-(1-ethynylcyclopentyl)-1H-pyrrole
SMILESC#CC1(c2ccc[nH]2)CCCC1
InChIInChI=1S/C11H13N/c1-2-11(7-3-4-8-11)10-6-5-9-12-10/h1,5-6,9,12H,3-4,7-8H2
InChIKeyOOGZKNONNLRUSN-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.46
Rot. Bonds1

About 2-(1-ethynylcyclopentyl)-1H-pyrrole

2-(1-ethynylcyclopentyl)-1H-pyrrole (PubChem CID 121217799) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-(1-ethynylcyclopentyl)-1H-pyrrole.

Molecular Properties

Compound Name2-(1-ethynylcyclopentyl)-1H-pyrrole
PubChem CID121217799
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name2-(1-ethynylcyclopentyl)-1H-pyrrole
SMILESC#CC1(c2ccc[nH]2)CCCC1
InChIInChI=1S/C11H13N/c1-2-11(7-3-4-8-11)10-6-5-9-12-10/h1,5-6,9,12H,3-4,7-8H2
InChIKeyOOGZKNONNLRUSN-UHFFFAOYSA-N
XLogP2.46
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(1H-pyrrol-2-yl)cyclopropane-1-carbonitrile
CID 83694235
2-(1-ethenylcyclopentyl)-1H-pyrrole
CID 175435378
1-(1H-pyrrol-2-yl)cyclohexan-1-ol
CID 91037758
2-(1-methylcyclodecyl)-1H-pyrrole
CID 173176370
2-[2-(trifluoromethyl)pyrrolidin-2-yl]-1H-pyrrole
CID 71732548
4-methyl-1-(1H-pyrrol-2-yl)cycloheptan-1-ol
CID 130528642
1-(1H-pyrrol-2-yl)cyclopropane-1-carbohydrazide
CID 116844165
2-[1-(1H-pyrrol-2-yl)cyclopropyl]propanoic acid
CID 83696021
N-(1-ethynylcyclohexyl)-2-phenoxyaniline
CID 18318060
1-(1H-pyrrol-2-ylmethyl)cyclohexan-1-ol
CID 67821644
4-ethyl-1-(1H-pyrrol-2-yl)cyclohexan-1-ol
CID 130528610
2-prop-2-ynyl-1H-pyrrole
CID 12008703

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethynylcyclopentyl)-1H-pyrrole?
The IUPAC name of 2-(1-ethynylcyclopentyl)-1H-pyrrole (CID 121217799) is 2-(1-ethynylcyclopentyl)-1H-pyrrole.
What is the SMILES notation for 2-(1-ethynylcyclopentyl)-1H-pyrrole?
The canonical SMILES for 2-(1-ethynylcyclopentyl)-1H-pyrrole is C#CC1(c2ccc[nH]2)CCCC1.
What is the InChIKey of 2-(1-ethynylcyclopentyl)-1H-pyrrole?
The InChIKey is OOGZKNONNLRUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-2-11(7-3-4-8-11)10-6-5-9-12-10/h1,5-6,9,12H,3-4,7-8H2.
What are the key properties of 2-(1-ethynylcyclopentyl)-1H-pyrrole?
2-(1-ethynylcyclopentyl)-1H-pyrrole has a molecular weight of 159.23 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethynylcyclopentyl)-1H-pyrrole is sourced from PubChem (CID 121217799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).