(4R)-4-propan-2-yl-3,4-dihydropyridine

C8H13N — CID 163994687

IUPAC(4R)-4-propan-2-yl-3,4-dihydropyridine
SMILESCC(C)[C@@H]1C=CN=CC1
InChIInChI=1S/C8H13N/c1-7(2)8-3-5-9-6-4-8/h3,5-8H,4H2,1-2H3/t8-/m1/s1
InChIKeyUDQQQVANEVVRMT-MRVPVSSYSA-N
MW123.20 g/mol
LogP2.25
Rot. Bonds1

About (4R)-4-propan-2-yl-3,4-dihydropyridine

(4R)-4-propan-2-yl-3,4-dihydropyridine (PubChem CID 163994687) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (4R)-4-propan-2-yl-3,4-dihydropyridine.

Molecular Properties

Compound Name(4R)-4-propan-2-yl-3,4-dihydropyridine
PubChem CID163994687
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(4R)-4-propan-2-yl-3,4-dihydropyridine
SMILESCC(C)[C@@H]1C=CN=CC1
InChIInChI=1S/C8H13N/c1-7(2)8-3-5-9-6-4-8/h3,5-8H,4H2,1-2H3/t8-/m1/s1
InChIKeyUDQQQVANEVVRMT-MRVPVSSYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-ethyl-2-fluoro-4-methyl-3,4-dihydropyridine
CID 166673263
4-Vinyl-4-ethyl-pyridine
CID 129787413
4-(3-fluoropropyl)-4-propan-2-yl-3H-pyridine
CID 175392976
4-Methyl-3,4-dihydropyridine
CID 14979260
4-Ethyl-3,4-dihydropyridine
CID 14979261
4-Propan-2-yl-3,4-dihydropyridine
CID 14979262
4-Tert-butyl-3,4-dihydropyridine
CID 14979263
3-Methyl-3,4-dihydropyridine
CID 14979268
3-Ethyl-3,4-dihydropyridine
CID 14979269
3-Tert-butyl-3,4-dihydropyridine
CID 14979271
5,6,7,7a-tetrahydro-4aH-cyclopenta[c]pyridine
CID 21921788
3,4-Dimethyl-3,4-dihydropyridine
CID 22965950

Frequently Asked Questions

What is the IUPAC name of (4R)-4-propan-2-yl-3,4-dihydropyridine?
The IUPAC name of (4R)-4-propan-2-yl-3,4-dihydropyridine (CID 163994687) is (4R)-4-propan-2-yl-3,4-dihydropyridine.
What is the SMILES notation for (4R)-4-propan-2-yl-3,4-dihydropyridine?
The canonical SMILES for (4R)-4-propan-2-yl-3,4-dihydropyridine is CC(C)[C@@H]1C=CN=CC1.
What is the InChIKey of (4R)-4-propan-2-yl-3,4-dihydropyridine?
The InChIKey is UDQQQVANEVVRMT-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H13N/c1-7(2)8-3-5-9-6-4-8/h3,5-8H,4H2,1-2H3/t8-/m1/s1.
What are the key properties of (4R)-4-propan-2-yl-3,4-dihydropyridine?
(4R)-4-propan-2-yl-3,4-dihydropyridine has a molecular weight of 123.20 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-propan-2-yl-3,4-dihydropyridine is sourced from PubChem (CID 163994687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).