ethane;3-[(2-methylpyrrolidin-1-yl)methyl]-3,4-dihydropyridine

C13H24N2 — CID 153386930

IUPACethane;3-[(2-methylpyrrolidin-1-yl)methyl]-3,4-dihydropyridine
SMILESCC.CC1CCCN1CC1C=NC=CC1
InChIInChI=1S/C11H18N2.C2H6/c1-10-4-3-7-13(10)9-11-5-2-6-12-8-11;1-2/h2,6,8,10-11H,3-5,7,9H2,1H3;1-2H3
InChIKeyWLVREJVJFPLPJT-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.10
Rot. Bonds2

About ethane;3-[(2-methylpyrrolidin-1-yl)methyl]-3,4-dihydropyridine

ethane;3-[(2-methylpyrrolidin-1-yl)methyl]-3,4-dihydropyridine (PubChem CID 153386930) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is ethane;3-[(2-methylpyrrolidin-1-yl)methyl]-3,4-dihydropyridine.

Molecular Properties

Compound Nameethane;3-[(2-methylpyrrolidin-1-yl)methyl]-3,4-dihydropyridine
PubChem CID153386930
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Nameethane;3-[(2-methylpyrrolidin-1-yl)methyl]-3,4-dihydropyridine
SMILESCC.CC1CCCN1CC1C=NC=CC1
InChIInChI=1S/C11H18N2.C2H6/c1-10-4-3-7-13(10)9-11-5-2-6-12-8-11;1-2/h2,6,8,10-11H,3-5,7,9H2,1H3;1-2H3
InChIKeyWLVREJVJFPLPJT-UHFFFAOYSA-N
XLogP3.10
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-[(2-methylpyrrolidin-1-yl)methyl]-3,4-dihydropyridine?
The IUPAC name of ethane;3-[(2-methylpyrrolidin-1-yl)methyl]-3,4-dihydropyridine (CID 153386930) is ethane;3-[(2-methylpyrrolidin-1-yl)methyl]-3,4-dihydropyridine.
What is the SMILES notation for ethane;3-[(2-methylpyrrolidin-1-yl)methyl]-3,4-dihydropyridine?
The canonical SMILES for ethane;3-[(2-methylpyrrolidin-1-yl)methyl]-3,4-dihydropyridine is CC.CC1CCCN1CC1C=NC=CC1.
What is the InChIKey of ethane;3-[(2-methylpyrrolidin-1-yl)methyl]-3,4-dihydropyridine?
The InChIKey is WLVREJVJFPLPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2.C2H6/c1-10-4-3-7-13(10)9-11-5-2-6-12-8-11;1-2/h2,6,8,10-11H,3-5,7,9H2,1H3;1-2H3.
What are the key properties of ethane;3-[(2-methylpyrrolidin-1-yl)methyl]-3,4-dihydropyridine?
ethane;3-[(2-methylpyrrolidin-1-yl)methyl]-3,4-dihydropyridine has a molecular weight of 208.35 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[(2-methylpyrrolidin-1-yl)methyl]-3,4-dihydropyridine is sourced from PubChem (CID 153386930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).