3-cyclopentyl-3,4-dihydropyridine

C10H15N — CID 57016506

IUPAC3-cyclopentyl-3,4-dihydropyridine
SMILESC1=CN=CC(C2CCCC2)C1
InChIInChI=1S/C10H15N/c1-2-5-9(4-1)10-6-3-7-11-8-10/h3,7-10H,1-2,4-6H2
InChIKeySXZHBFCHFUSRME-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.78
Rot. Bonds1

About 3-cyclopentyl-3,4-dihydropyridine

3-cyclopentyl-3,4-dihydropyridine (PubChem CID 57016506) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 3-cyclopentyl-3,4-dihydropyridine.

Molecular Properties

Compound Name3-cyclopentyl-3,4-dihydropyridine
PubChem CID57016506
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name3-cyclopentyl-3,4-dihydropyridine
SMILESC1=CN=CC(C2CCCC2)C1
InChIInChI=1S/C10H15N/c1-2-5-9(4-1)10-6-3-7-11-8-10/h3,7-10H,1-2,4-6H2
InChIKeySXZHBFCHFUSRME-UHFFFAOYSA-N
XLogP2.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4aR,10aS)-4a,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine
CID 134861499
4-Propan-2-yl-3,4-dihydropyridine
CID 14979262
5,6,7,7a-tetrahydro-4aH-cyclopenta[c]pyridine
CID 21921788
3-Cyclopropyl-3,4-dihydropyridine
CID 53937988
4-Cyclohexyl-3,4-dihydropyridine
CID 53946718
4-Ethyl-3-methyl-3,4-dihydropyridine
CID 54052565
5,5,7,7-tetramethyl-6,7a-dihydro-4aH-cyclopenta[c]pyridine
CID 57756610
3,4-Di(propan-2-yl)-3,4-dihydropyridine
CID 59427938
3-butan-2-yl-3H-pyrrole
CID 59658271
6-methyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[c]pyridine
CID 59910602
4-Propyl-3,4-dihydropyridine
CID 68028727
3,4-Diethyl-3,4-dihydropyridine
CID 68086218

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-3,4-dihydropyridine?
The IUPAC name of 3-cyclopentyl-3,4-dihydropyridine (CID 57016506) is 3-cyclopentyl-3,4-dihydropyridine.
What is the SMILES notation for 3-cyclopentyl-3,4-dihydropyridine?
The canonical SMILES for 3-cyclopentyl-3,4-dihydropyridine is C1=CN=CC(C2CCCC2)C1.
What is the InChIKey of 3-cyclopentyl-3,4-dihydropyridine?
The InChIKey is SXZHBFCHFUSRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-2-5-9(4-1)10-6-3-7-11-8-10/h3,7-10H,1-2,4-6H2.
What are the key properties of 3-cyclopentyl-3,4-dihydropyridine?
3-cyclopentyl-3,4-dihydropyridine has a molecular weight of 149.24 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-3,4-dihydropyridine is sourced from PubChem (CID 57016506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).