3-methyl-6-[(E)-pent-1-enyl]-3,4-dihydropyridine

C11H17N — CID 142524122

IUPAC3-methyl-6-[(E)-pent-1-enyl]-3,4-dihydropyridine
SMILESCCC/C=C/C1=CCC(C)C=N1
InChIInChI=1S/C11H17N/c1-3-4-5-6-11-8-7-10(2)9-12-11/h5-6,8-10H,3-4,7H2,1-2H3/b6-5+
InChIKeyPHNFLQDKSHUULN-AATRIKPKSA-N
MW163.26 g/mol
LogP3.34
Rot. Bonds3

About 3-methyl-6-[(E)-pent-1-enyl]-3,4-dihydropyridine

3-methyl-6-[(E)-pent-1-enyl]-3,4-dihydropyridine (PubChem CID 142524122) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 3-methyl-6-[(E)-pent-1-enyl]-3,4-dihydropyridine.

Molecular Properties

Compound Name3-methyl-6-[(E)-pent-1-enyl]-3,4-dihydropyridine
PubChem CID142524122
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name3-methyl-6-[(E)-pent-1-enyl]-3,4-dihydropyridine
SMILESCCC/C=C/C1=CCC(C)C=N1
InChIInChI=1S/C11H17N/c1-3-4-5-6-11-8-7-10(2)9-12-11/h5-6,8-10H,3-4,7H2,1-2H3/b6-5+
InChIKeyPHNFLQDKSHUULN-AATRIKPKSA-N
XLogP3.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[(E)-pent-1-enyl]-3,4-dihydropyridine?
The IUPAC name of 3-methyl-6-[(E)-pent-1-enyl]-3,4-dihydropyridine (CID 142524122) is 3-methyl-6-[(E)-pent-1-enyl]-3,4-dihydropyridine.
What is the SMILES notation for 3-methyl-6-[(E)-pent-1-enyl]-3,4-dihydropyridine?
The canonical SMILES for 3-methyl-6-[(E)-pent-1-enyl]-3,4-dihydropyridine is CCC/C=C/C1=CCC(C)C=N1.
What is the InChIKey of 3-methyl-6-[(E)-pent-1-enyl]-3,4-dihydropyridine?
The InChIKey is PHNFLQDKSHUULN-AATRIKPKSA-N. The full InChI is InChI=1S/C11H17N/c1-3-4-5-6-11-8-7-10(2)9-12-11/h5-6,8-10H,3-4,7H2,1-2H3/b6-5+.
What are the key properties of 3-methyl-6-[(E)-pent-1-enyl]-3,4-dihydropyridine?
3-methyl-6-[(E)-pent-1-enyl]-3,4-dihydropyridine has a molecular weight of 163.26 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[(E)-pent-1-enyl]-3,4-dihydropyridine is sourced from PubChem (CID 142524122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).