3-propan-2-yl-2,3-dihydropyridine

C8H13N — CID 91515081

IUPAC3-propan-2-yl-2,3-dihydropyridine
SMILESCC(C)C1C=CC=NC1
InChIInChI=1S/C8H13N/c1-7(2)8-4-3-5-9-6-8/h3-5,7-8H,6H2,1-2H3
InChIKeyFDBBBIITUZXDSG-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.90
Rot. Bonds1

About 3-propan-2-yl-2,3-dihydropyridine

3-propan-2-yl-2,3-dihydropyridine (PubChem CID 91515081) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 3-propan-2-yl-2,3-dihydropyridine.

Molecular Properties

Compound Name3-propan-2-yl-2,3-dihydropyridine
PubChem CID91515081
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name3-propan-2-yl-2,3-dihydropyridine
SMILESCC(C)C1C=CC=NC1
InChIInChI=1S/C8H13N/c1-7(2)8-4-3-5-9-6-8/h3-5,7-8H,6H2,1-2H3
InChIKeyFDBBBIITUZXDSG-UHFFFAOYSA-N
XLogP1.90
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-Diethyl-2,3-dihydropyridine
CID 53814937
2,2-Dimethyl-2,3-dihydropyridine
CID 91431547
(E)-N,5-dimethyl-4-propan-2-ylhex-2-en-1-imine
CID 134895402
2,3-Dimethyl-2,3-dihydropyridine
CID 19937065
3-Methyl-2,3-dihydropyridine
CID 21471736
3,5-Diethyl-2,3-dihydropyridine
CID 54235037
3-Ethyl-2,3-dihydropyridine
CID 54500796
3,5-Diethyl-2,5-dihydropyridine
CID 57046703
3,4-Dimethyl-2,3-dihydropyridine
CID 57300040
1-(4-Methylpent-2-enylideneamino)ethylidenetungsten
CID 58931175
2,3-Di(propan-2-yl)-2,3-dihydropyridine
CID 59427901
(2R,3R)-2,3-dimethyl-2,3-dihydropyridine
CID 59584701

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-2,3-dihydropyridine?
The IUPAC name of 3-propan-2-yl-2,3-dihydropyridine (CID 91515081) is 3-propan-2-yl-2,3-dihydropyridine.
What is the SMILES notation for 3-propan-2-yl-2,3-dihydropyridine?
The canonical SMILES for 3-propan-2-yl-2,3-dihydropyridine is CC(C)C1C=CC=NC1.
What is the InChIKey of 3-propan-2-yl-2,3-dihydropyridine?
The InChIKey is FDBBBIITUZXDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-7(2)8-4-3-5-9-6-8/h3-5,7-8H,6H2,1-2H3.
What are the key properties of 3-propan-2-yl-2,3-dihydropyridine?
3-propan-2-yl-2,3-dihydropyridine has a molecular weight of 123.20 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-2,3-dihydropyridine is sourced from PubChem (CID 91515081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).