3-(2,3-dihydro-1H-inden-1-yl)-1,4-dihydropyridine

C14H15N — CID 91593715

IUPAC3-(2,3-dihydro-1H-inden-1-yl)-1,4-dihydropyridine
SMILESC1=CNC=C(C2CCc3ccccc32)C1
InChIInChI=1S/C14H15N/c1-2-6-13-11(4-1)7-8-14(13)12-5-3-9-15-10-12/h1-4,6,9-10,14-15H,5,7-8H2
InChIKeyKZCAOGHOQFZHKU-UHFFFAOYSA-N
MW197.28 g/mol
LogP3.11
Rot. Bonds1

About 3-(2,3-dihydro-1H-inden-1-yl)-1,4-dihydropyridine

3-(2,3-dihydro-1H-inden-1-yl)-1,4-dihydropyridine (PubChem CID 91593715) has the molecular formula C14H15N and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-1-yl)-1,4-dihydropyridine.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-1-yl)-1,4-dihydropyridine
PubChem CID91593715
Molecular FormulaC14H15N
Molecular Weight197.28 g/mol
Exact Mass197.12
IUPAC Name3-(2,3-dihydro-1H-inden-1-yl)-1,4-dihydropyridine
SMILESC1=CNC=C(C2CCc3ccccc32)C1
InChIInChI=1S/C14H15N/c1-2-6-13-11(4-1)7-8-14(13)12-5-3-9-15-10-12/h1-4,6,9-10,14-15H,5,7-8H2
InChIKeyKZCAOGHOQFZHKU-UHFFFAOYSA-N
XLogP3.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 86317176
5-(2,3-dihydro-1H-inden-1-yl)-2H-tetrazole
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1,1-dibromo-1a,2,3,7b-tetrahydrocyclopropa[a]naphthalene
CID 12621746
3-(2,3-dihydro-1H-inden-1-yl)-2-(trifluoromethyl)-1H-quinolin-4-one
CID 90747358
2-(2,3-dihydro-1H-inden-1-yl)-1,4-dihydroimidazol-5-one
CID 106951843
2,4-bis(2,3-dihydro-1H-inden-1-yl)-6-methylbenzene-1,3-diamine
CID 14401683
2-(2,3-dihydro-1H-inden-1-yl)-4-hydroxy-1H-pyrimidin-6-one
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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-1-yl)-1,4-dihydropyridine?
The IUPAC name of 3-(2,3-dihydro-1H-inden-1-yl)-1,4-dihydropyridine (CID 91593715) is 3-(2,3-dihydro-1H-inden-1-yl)-1,4-dihydropyridine.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-1-yl)-1,4-dihydropyridine?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-1-yl)-1,4-dihydropyridine is C1=CNC=C(C2CCc3ccccc32)C1.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-1-yl)-1,4-dihydropyridine?
The InChIKey is KZCAOGHOQFZHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N/c1-2-6-13-11(4-1)7-8-14(13)12-5-3-9-15-10-12/h1-4,6,9-10,14-15H,5,7-8H2.
What are the key properties of 3-(2,3-dihydro-1H-inden-1-yl)-1,4-dihydropyridine?
3-(2,3-dihydro-1H-inden-1-yl)-1,4-dihydropyridine has a molecular weight of 197.28 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-1-yl)-1,4-dihydropyridine is sourced from PubChem (CID 91593715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).