2-(cyclopenta-1,4-dien-1-ylmethyl)pyridine

C11H11N — CID 22726371

IUPAC2-(cyclopenta-1,4-dien-1-ylmethyl)pyridine
SMILESC1=CC(Cc2ccccn2)=CC1
InChIInChI=1S/C11H11N/c1-2-6-10(5-1)9-11-7-3-4-8-12-11/h1,3-8H,2,9H2
InChIKeyWLZDINSDZHRYQW-UHFFFAOYSA-N
MW157.22 g/mol
LogP2.51
Rot. Bonds2

About 2-(cyclopenta-1,4-dien-1-ylmethyl)pyridine

2-(cyclopenta-1,4-dien-1-ylmethyl)pyridine (PubChem CID 22726371) has the molecular formula C11H11N and a molecular weight of 157.22 g/mol. Its IUPAC name is 2-(cyclopenta-1,4-dien-1-ylmethyl)pyridine.

Molecular Properties

Compound Name2-(cyclopenta-1,4-dien-1-ylmethyl)pyridine
PubChem CID22726371
Molecular FormulaC11H11N
Molecular Weight157.22 g/mol
Exact Mass157.09
IUPAC Name2-(cyclopenta-1,4-dien-1-ylmethyl)pyridine
SMILESC1=CC(Cc2ccccn2)=CC1
InChIInChI=1S/C11H11N/c1-2-6-10(5-1)9-11-7-3-4-8-12-11/h1,3-8H,2,9H2
InChIKeyWLZDINSDZHRYQW-UHFFFAOYSA-N
XLogP2.51
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Nicotine
CID 89594
Pyridine
CID 1049
Cetylpyridinium Chloride
CID 31239
Ethionamide
CID 2761171
Triprolidine
CID 5282443
3-Methylpyridine
CID 7970
(+-)-Dimethindene
CID 21855
Nornicotine
CID 91462
3-(1-Methylpyrrolidin-2-yl)pyridine
CID 942
4-Methylpyridine
CID 7963
2,2'-Bipyridine
CID 1474
Pheniramine
CID 4761

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopenta-1,4-dien-1-ylmethyl)pyridine?
The IUPAC name of 2-(cyclopenta-1,4-dien-1-ylmethyl)pyridine (CID 22726371) is 2-(cyclopenta-1,4-dien-1-ylmethyl)pyridine.
What is the SMILES notation for 2-(cyclopenta-1,4-dien-1-ylmethyl)pyridine?
The canonical SMILES for 2-(cyclopenta-1,4-dien-1-ylmethyl)pyridine is C1=CC(Cc2ccccn2)=CC1.
What is the InChIKey of 2-(cyclopenta-1,4-dien-1-ylmethyl)pyridine?
The InChIKey is WLZDINSDZHRYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N/c1-2-6-10(5-1)9-11-7-3-4-8-12-11/h1,3-8H,2,9H2.
What are the key properties of 2-(cyclopenta-1,4-dien-1-ylmethyl)pyridine?
2-(cyclopenta-1,4-dien-1-ylmethyl)pyridine has a molecular weight of 157.22 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopenta-1,4-dien-1-ylmethyl)pyridine is sourced from PubChem (CID 22726371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).