2-[2-(2-methyl-1-prop-1-enylcyclopropyl)-2,3-dihydronaphthalen-1-yl]pyridine

C22H23N — CID 131967049

IUPAC2-[2-(2-methyl-1-prop-1-enylcyclopropyl)-2,3-dihydronaphthalen-1-yl]pyridine
SMILESCC=CC1(C2CC=c3ccccc3=C2c2ccccn2)CC1C
InChIInChI=1S/C22H23N/c1-3-13-22(15-16(22)2)19-12-11-17-8-4-5-9-18(17)21(19)20-10-6-7-14-23-20/h3-11,13-14,16,19H,12,15H2,1-2H3
InChIKeyHKJDCTNHVGUVRY-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.68
Rot. Bonds3

About 2-[2-(2-methyl-1-prop-1-enylcyclopropyl)-2,3-dihydronaphthalen-1-yl]pyridine

2-[2-(2-methyl-1-prop-1-enylcyclopropyl)-2,3-dihydronaphthalen-1-yl]pyridine (PubChem CID 131967049) has the molecular formula C22H23N and a molecular weight of 301.43 g/mol. Its IUPAC name is 2-[2-(2-methyl-1-prop-1-enylcyclopropyl)-2,3-dihydronaphthalen-1-yl]pyridine.

Molecular Properties

Compound Name2-[2-(2-methyl-1-prop-1-enylcyclopropyl)-2,3-dihydronaphthalen-1-yl]pyridine
PubChem CID131967049
Molecular FormulaC22H23N
Molecular Weight301.43 g/mol
Exact Mass301.18
IUPAC Name2-[2-(2-methyl-1-prop-1-enylcyclopropyl)-2,3-dihydronaphthalen-1-yl]pyridine
SMILESCC=CC1(C2CC=c3ccccc3=C2c2ccccn2)CC1C
InChIInChI=1S/C22H23N/c1-3-13-22(15-16(22)2)19-12-11-17-8-4-5-9-18(17)21(19)20-10-6-7-14-23-20/h3-11,13-14,16,19H,12,15H2,1-2H3
InChIKeyHKJDCTNHVGUVRY-UHFFFAOYSA-N
XLogP3.68
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[6-(2-methyl-1-prop-1-enylcyclopropyl)cyclohexa-1,3-dien-1-yl]isoquinoline
CID 126591577
ethane;1-fluoropropylphosphane;2-(2-pent-2-enyl-2,3-dihydroanthracen-1-yl)pyridine
CID 142477041
cobalt;ethane;tris(2-pyridin-2-ylpyridine)
CID 161013986
2-(3,8-dimethyl-6-pyridin-2-yl-2-bicyclo[5.1.0]octa-2,5-dienyl)pyridine
CID 11011669
3-(2,2-dimethylcyclopropyl)-4-pyridin-2-yl-1,2-oxazol-5-amine
CID 107001966
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
2-pyridin-2-ylpyridine;dihydroiodide
CID 173445353
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methyl-1-prop-1-enylcyclopropyl)-2,3-dihydronaphthalen-1-yl]pyridine?
The IUPAC name of 2-[2-(2-methyl-1-prop-1-enylcyclopropyl)-2,3-dihydronaphthalen-1-yl]pyridine (CID 131967049) is 2-[2-(2-methyl-1-prop-1-enylcyclopropyl)-2,3-dihydronaphthalen-1-yl]pyridine.
What is the SMILES notation for 2-[2-(2-methyl-1-prop-1-enylcyclopropyl)-2,3-dihydronaphthalen-1-yl]pyridine?
The canonical SMILES for 2-[2-(2-methyl-1-prop-1-enylcyclopropyl)-2,3-dihydronaphthalen-1-yl]pyridine is CC=CC1(C2CC=c3ccccc3=C2c2ccccn2)CC1C.
What is the InChIKey of 2-[2-(2-methyl-1-prop-1-enylcyclopropyl)-2,3-dihydronaphthalen-1-yl]pyridine?
The InChIKey is HKJDCTNHVGUVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N/c1-3-13-22(15-16(22)2)19-12-11-17-8-4-5-9-18(17)21(19)20-10-6-7-14-23-20/h3-11,13-14,16,19H,12,15H2,1-2H3.
What are the key properties of 2-[2-(2-methyl-1-prop-1-enylcyclopropyl)-2,3-dihydronaphthalen-1-yl]pyridine?
2-[2-(2-methyl-1-prop-1-enylcyclopropyl)-2,3-dihydronaphthalen-1-yl]pyridine has a molecular weight of 301.43 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methyl-1-prop-1-enylcyclopropyl)-2,3-dihydronaphthalen-1-yl]pyridine is sourced from PubChem (CID 131967049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).