4-butan-2-yl-1,2-dihydropyridine

C9H15N — CID 20611638

IUPAC4-butan-2-yl-1,2-dihydropyridine
SMILESCCC(C)C1=CCNC=C1
InChIInChI=1S/C9H15N/c1-3-8(2)9-4-6-10-7-5-9/h4-6,8,10H,3,7H2,1-2H3
InChIKeyXVPSOOPCCMXADZ-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.08
Rot. Bonds2

About 4-butan-2-yl-1,2-dihydropyridine

4-butan-2-yl-1,2-dihydropyridine (PubChem CID 20611638) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 4-butan-2-yl-1,2-dihydropyridine.

Molecular Properties

Compound Name4-butan-2-yl-1,2-dihydropyridine
PubChem CID20611638
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name4-butan-2-yl-1,2-dihydropyridine
SMILESCCC(C)C1=CCNC=C1
InChIInChI=1S/C9H15N/c1-3-8(2)9-4-6-10-7-5-9/h4-6,8,10H,3,7H2,1-2H3
InChIKeyXVPSOOPCCMXADZ-UHFFFAOYSA-N
XLogP2.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-1,2-dihydropyridine?
The IUPAC name of 4-butan-2-yl-1,2-dihydropyridine (CID 20611638) is 4-butan-2-yl-1,2-dihydropyridine.
What is the SMILES notation for 4-butan-2-yl-1,2-dihydropyridine?
The canonical SMILES for 4-butan-2-yl-1,2-dihydropyridine is CCC(C)C1=CCNC=C1.
What is the InChIKey of 4-butan-2-yl-1,2-dihydropyridine?
The InChIKey is XVPSOOPCCMXADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-3-8(2)9-4-6-10-7-5-9/h4-6,8,10H,3,7H2,1-2H3.
What are the key properties of 4-butan-2-yl-1,2-dihydropyridine?
4-butan-2-yl-1,2-dihydropyridine has a molecular weight of 137.23 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-1,2-dihydropyridine is sourced from PubChem (CID 20611638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).