5-methyl-3-[4-(pyrrolidin-1-ylmethyl)cyclohexa-1,5-dien-1-yl]-2,3-dihydropyridine

C17H24N2 — CID 118549030

IUPAC5-methyl-3-[4-(pyrrolidin-1-ylmethyl)cyclohexa-1,5-dien-1-yl]-2,3-dihydropyridine
SMILESCC1=CC(C2=CCC(CN3CCCC3)C=C2)CN=C1
InChIInChI=1S/C17H24N2/c1-14-10-17(12-18-11-14)16-6-4-15(5-7-16)13-19-8-2-3-9-19/h4,6-7,10-11,15,17H,2-3,5,8-9,12-13H2,1H3
InChIKeyGWABIYHUVXOCRY-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.23
Rot. Bonds3

About 5-methyl-3-[4-(pyrrolidin-1-ylmethyl)cyclohexa-1,5-dien-1-yl]-2,3-dihydropyridine

5-methyl-3-[4-(pyrrolidin-1-ylmethyl)cyclohexa-1,5-dien-1-yl]-2,3-dihydropyridine (PubChem CID 118549030) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 5-methyl-3-[4-(pyrrolidin-1-ylmethyl)cyclohexa-1,5-dien-1-yl]-2,3-dihydropyridine.

Molecular Properties

Compound Name5-methyl-3-[4-(pyrrolidin-1-ylmethyl)cyclohexa-1,5-dien-1-yl]-2,3-dihydropyridine
PubChem CID118549030
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name5-methyl-3-[4-(pyrrolidin-1-ylmethyl)cyclohexa-1,5-dien-1-yl]-2,3-dihydropyridine
SMILESCC1=CC(C2=CCC(CN3CCCC3)C=C2)CN=C1
InChIInChI=1S/C17H24N2/c1-14-10-17(12-18-11-14)16-6-4-15(5-7-16)13-19-8-2-3-9-19/h4,6-7,10-11,15,17H,2-3,5,8-9,12-13H2,1H3
InChIKeyGWABIYHUVXOCRY-UHFFFAOYSA-N
XLogP3.23
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-ethynylcyclohexa-2,4-dien-1-yl)methyl]-1,4-oxazepane
CID 138716067
3-methyl-5-[4-(pyrrolidin-1-ylmethyl)cyclohexa-2,4-dien-1-yl]pyridine
CID 118549028
2-methyl-5-[1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexa-2,4-dien-1-yl]methyl]piperidin-4-yl]-1,3,4-oxadiazole
CID 123809246
1-(4-methylcyclohexa-2,4-dien-1-yl)piperidine
CID 135293078
N-methyl-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]ethanamine
CID 155181808
5-butyl-2-methylcyclohexa-1,3-diene
CID 12596747
N,N-dimethyl-2-(1-propyl-5,6-dihydroindol-3-yl)ethanamine;1-[(4-ethenylcyclohexa-2,4-dien-1-yl)methyl]piperidine
CID 176680222
4-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclopent-2-en-1-amine
CID 79207370
N-[1-[[4-(3-piperidin-1-ylpropoxy)cyclohexa-2,4-dien-1-yl]methyl]piperidin-4-yl]-1,2-dihydropyridin-6-amine
CID 163548036
(2R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(piperidin-1-ylmethyl)-1,4-oxazepane
CID 99926715
1-[(2,5-dimethyl-3,4-dihydropyrazol-4-yl)methyl]piperidine
CID 143811923
1-[(8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)methyl]piperidine
CID 2828544

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[4-(pyrrolidin-1-ylmethyl)cyclohexa-1,5-dien-1-yl]-2,3-dihydropyridine?
The IUPAC name of 5-methyl-3-[4-(pyrrolidin-1-ylmethyl)cyclohexa-1,5-dien-1-yl]-2,3-dihydropyridine (CID 118549030) is 5-methyl-3-[4-(pyrrolidin-1-ylmethyl)cyclohexa-1,5-dien-1-yl]-2,3-dihydropyridine.
What is the SMILES notation for 5-methyl-3-[4-(pyrrolidin-1-ylmethyl)cyclohexa-1,5-dien-1-yl]-2,3-dihydropyridine?
The canonical SMILES for 5-methyl-3-[4-(pyrrolidin-1-ylmethyl)cyclohexa-1,5-dien-1-yl]-2,3-dihydropyridine is CC1=CC(C2=CCC(CN3CCCC3)C=C2)CN=C1.
What is the InChIKey of 5-methyl-3-[4-(pyrrolidin-1-ylmethyl)cyclohexa-1,5-dien-1-yl]-2,3-dihydropyridine?
The InChIKey is GWABIYHUVXOCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-14-10-17(12-18-11-14)16-6-4-15(5-7-16)13-19-8-2-3-9-19/h4,6-7,10-11,15,17H,2-3,5,8-9,12-13H2,1H3.
What are the key properties of 5-methyl-3-[4-(pyrrolidin-1-ylmethyl)cyclohexa-1,5-dien-1-yl]-2,3-dihydropyridine?
5-methyl-3-[4-(pyrrolidin-1-ylmethyl)cyclohexa-1,5-dien-1-yl]-2,3-dihydropyridine has a molecular weight of 256.39 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[4-(pyrrolidin-1-ylmethyl)cyclohexa-1,5-dien-1-yl]-2,3-dihydropyridine is sourced from PubChem (CID 118549030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).