2-(cyclopenta-1,4-dien-1-ylmethyl)-1H-pyrrole

C10H11N — CID 55286110

IUPAC2-(cyclopenta-1,4-dien-1-ylmethyl)-1H-pyrrole
SMILESC1=CC(Cc2ccc[nH]2)=CC1
InChIInChI=1S/C10H11N/c1-2-5-9(4-1)8-10-6-3-7-11-10/h1,3-7,11H,2,8H2
InChIKeyHDJSUKNCHOYNCT-UHFFFAOYSA-N
MW145.20 g/mol
LogP2.44
Rot. Bonds2

About 2-(cyclopenta-1,4-dien-1-ylmethyl)-1H-pyrrole

2-(cyclopenta-1,4-dien-1-ylmethyl)-1H-pyrrole (PubChem CID 55286110) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 2-(cyclopenta-1,4-dien-1-ylmethyl)-1H-pyrrole.

Molecular Properties

Compound Name2-(cyclopenta-1,4-dien-1-ylmethyl)-1H-pyrrole
PubChem CID55286110
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name2-(cyclopenta-1,4-dien-1-ylmethyl)-1H-pyrrole
SMILESC1=CC(Cc2ccc[nH]2)=CC1
InChIInChI=1S/C10H11N/c1-2-5-9(4-1)8-10-6-3-7-11-10/h1,3-7,11H,2,8H2
InChIKeyHDJSUKNCHOYNCT-UHFFFAOYSA-N
XLogP2.44
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopenta-1,4-dien-1-ylmethyl)-1H-pyrrole?
The IUPAC name of 2-(cyclopenta-1,4-dien-1-ylmethyl)-1H-pyrrole (CID 55286110) is 2-(cyclopenta-1,4-dien-1-ylmethyl)-1H-pyrrole.
What is the SMILES notation for 2-(cyclopenta-1,4-dien-1-ylmethyl)-1H-pyrrole?
The canonical SMILES for 2-(cyclopenta-1,4-dien-1-ylmethyl)-1H-pyrrole is C1=CC(Cc2ccc[nH]2)=CC1.
What is the InChIKey of 2-(cyclopenta-1,4-dien-1-ylmethyl)-1H-pyrrole?
The InChIKey is HDJSUKNCHOYNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-2-5-9(4-1)8-10-6-3-7-11-10/h1,3-7,11H,2,8H2.
What are the key properties of 2-(cyclopenta-1,4-dien-1-ylmethyl)-1H-pyrrole?
2-(cyclopenta-1,4-dien-1-ylmethyl)-1H-pyrrole has a molecular weight of 145.20 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopenta-1,4-dien-1-ylmethyl)-1H-pyrrole is sourced from PubChem (CID 55286110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).