5-(3,4-dihydro-2H-pyrrol-5-yl)-2,3-dihydropyridine

C9H12N2 — CID 146620666

IUPAC5-(3,4-dihydro-2H-pyrrol-5-yl)-2,3-dihydropyridine
SMILESC1=NCCC=C1C1=NCCC1
InChIInChI=1S/C9H12N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h3,7H,1-2,4-6H2
InChIKeyWBKMDVHSXAAUQS-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.62
Rot. Bonds1

About 5-(3,4-dihydro-2H-pyrrol-5-yl)-2,3-dihydropyridine

5-(3,4-dihydro-2H-pyrrol-5-yl)-2,3-dihydropyridine (PubChem CID 146620666) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-pyrrol-5-yl)-2,3-dihydropyridine.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-pyrrol-5-yl)-2,3-dihydropyridine
PubChem CID146620666
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name5-(3,4-dihydro-2H-pyrrol-5-yl)-2,3-dihydropyridine
SMILESC1=NCCC=C1C1=NCCC1
InChIInChI=1S/C9H12N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h3,7H,1-2,4-6H2
InChIKeyWBKMDVHSXAAUQS-UHFFFAOYSA-N
XLogP1.62
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,3-Dihydropyridin-4-yl)-2,3-dihydropyridine
CID 89219434
5-Ethenyl-4-ethylidene-2,3-dihydropyrrole
CID 90829219
6-[(E)-but-2-en-2-yl]-2,3,4,5-tetrahydropyridine
CID 135038641
5-[3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-5-yl]-2,3-dihydropyridine
CID 143484812
2,3,4,6-Tetrahydroquinoline
CID 20558379
2,3,4,7,8,9-Hexahydropyrido[2,3-g]quinoline
CID 21835857
3,5,6,7-tetrahydro-2H-indole
CID 54251926
6,7-dihydro-2H-cyclopenta[d]pyrimidine
CID 54269313
2,3,4,4a-Tetrahydro-1,5-naphthyridine
CID 68052703
3,4,6,7,8,9-hexahydro-2H-cyclohepta[b]pyridine
CID 69182582
2-methyl-3,4-dihydro-2H-pyridazino[4,5-b]azepine
CID 89129881
4-Ethyl-2-methyl-2,3-dihydropyridine
CID 89150349

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-2H-pyrrol-5-yl)-2,3-dihydropyridine?
The IUPAC name of 5-(3,4-dihydro-2H-pyrrol-5-yl)-2,3-dihydropyridine (CID 146620666) is 5-(3,4-dihydro-2H-pyrrol-5-yl)-2,3-dihydropyridine.
What is the SMILES notation for 5-(3,4-dihydro-2H-pyrrol-5-yl)-2,3-dihydropyridine?
The canonical SMILES for 5-(3,4-dihydro-2H-pyrrol-5-yl)-2,3-dihydropyridine is C1=NCCC=C1C1=NCCC1.
What is the InChIKey of 5-(3,4-dihydro-2H-pyrrol-5-yl)-2,3-dihydropyridine?
The InChIKey is WBKMDVHSXAAUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h3,7H,1-2,4-6H2.
What are the key properties of 5-(3,4-dihydro-2H-pyrrol-5-yl)-2,3-dihydropyridine?
5-(3,4-dihydro-2H-pyrrol-5-yl)-2,3-dihydropyridine has a molecular weight of 148.21 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-2H-pyrrol-5-yl)-2,3-dihydropyridine is sourced from PubChem (CID 146620666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).