6-[(Z)-but-1-enyl]-3-methyl-3,4-dihydropyridine

C10H15N — CID 123906787

IUPAC6-[(Z)-but-1-enyl]-3-methyl-3,4-dihydropyridine
SMILESCC/C=C\C1=CCC(C)C=N1
InChIInChI=1S/C10H15N/c1-3-4-5-10-7-6-9(2)8-11-10/h4-5,7-9H,3,6H2,1-2H3/b5-4-
InChIKeyAEIBMDLWWVPIFX-PLNGDYQASA-N
MW149.24 g/mol
LogP2.95
Rot. Bonds2

About 6-[(Z)-but-1-enyl]-3-methyl-3,4-dihydropyridine

6-[(Z)-but-1-enyl]-3-methyl-3,4-dihydropyridine (PubChem CID 123906787) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 6-[(Z)-but-1-enyl]-3-methyl-3,4-dihydropyridine.

Molecular Properties

Compound Name6-[(Z)-but-1-enyl]-3-methyl-3,4-dihydropyridine
PubChem CID123906787
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name6-[(Z)-but-1-enyl]-3-methyl-3,4-dihydropyridine
SMILESCC/C=C\C1=CCC(C)C=N1
InChIInChI=1S/C10H15N/c1-3-4-5-10-7-6-9(2)8-11-10/h4-5,7-9H,3,6H2,1-2H3/b5-4-
InChIKeyAEIBMDLWWVPIFX-PLNGDYQASA-N
XLogP2.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-3,4-dihydropyridine
CID 90930168
(Z)-N-(4-fluorocyclohexa-1,5-dien-1-yl)-2-methylbut-2-en-1-imine
CID 91428366
3-Fluoro-4,6-dimethyl-3,4-dihydropyridine
CID 129196332
6-Cyclopenta-1,3-dien-1-yl-3,4-dihydropyridine
CID 91482385
7-propyl-3H-azepine
CID 14610141
6-Propan-2-yl-3,4-dihydropyridine
CID 14979258
5-(2-methylpropyl)-3H-pyrrole
CID 22094961
4,6-Dimethyl-3,4-dihydropyridine
CID 53738464
N-(6-propylidenecyclohexa-1,3-dien-1-yl)propan-1-imine
CID 53831115
5a,9a-dihydro-3H-1-benzazepine
CID 53875240
4,4,6-trimethyl-3H-pyridine
CID 57056845
4-Ethyl-6-methyl-3,4-dihydropyridine
CID 57076451

Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-but-1-enyl]-3-methyl-3,4-dihydropyridine?
The IUPAC name of 6-[(Z)-but-1-enyl]-3-methyl-3,4-dihydropyridine (CID 123906787) is 6-[(Z)-but-1-enyl]-3-methyl-3,4-dihydropyridine.
What is the SMILES notation for 6-[(Z)-but-1-enyl]-3-methyl-3,4-dihydropyridine?
The canonical SMILES for 6-[(Z)-but-1-enyl]-3-methyl-3,4-dihydropyridine is CC/C=C\C1=CCC(C)C=N1.
What is the InChIKey of 6-[(Z)-but-1-enyl]-3-methyl-3,4-dihydropyridine?
The InChIKey is AEIBMDLWWVPIFX-PLNGDYQASA-N. The full InChI is InChI=1S/C10H15N/c1-3-4-5-10-7-6-9(2)8-11-10/h4-5,7-9H,3,6H2,1-2H3/b5-4-.
What are the key properties of 6-[(Z)-but-1-enyl]-3-methyl-3,4-dihydropyridine?
6-[(Z)-but-1-enyl]-3-methyl-3,4-dihydropyridine has a molecular weight of 149.24 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-but-1-enyl]-3-methyl-3,4-dihydropyridine is sourced from PubChem (CID 123906787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).