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

C11H18N2 — CID 153386931

IUPAC3-[(2-methylpyrrolidin-1-yl)methyl]-3,4-dihydropyridine
SMILESCC1CCCN1CC1C=NC=CC1
InChIInChI=1S/C11H18N2/c1-10-4-3-7-13(10)9-11-5-2-6-12-8-11/h2,6,8,10-11H,3-5,7,9H2,1H3
InChIKeyZEJJUNWKHFBPTI-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.08
Rot. Bonds2

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

3-[(2-methylpyrrolidin-1-yl)methyl]-3,4-dihydropyridine (PubChem CID 153386931) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 3-[(2-methylpyrrolidin-1-yl)methyl]-3,4-dihydropyridine.

Molecular Properties

Compound Name3-[(2-methylpyrrolidin-1-yl)methyl]-3,4-dihydropyridine
PubChem CID153386931
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name3-[(2-methylpyrrolidin-1-yl)methyl]-3,4-dihydropyridine
SMILESCC1CCCN1CC1C=NC=CC1
InChIInChI=1S/C11H18N2/c1-10-4-3-7-13(10)9-11-5-2-6-12-8-11/h2,6,8,10-11H,3-5,7,9H2,1H3
InChIKeyZEJJUNWKHFBPTI-UHFFFAOYSA-N
XLogP2.08
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpyrrolidin-1-yl)methyl]-3,4-dihydropyridine?
The IUPAC name of 3-[(2-methylpyrrolidin-1-yl)methyl]-3,4-dihydropyridine (CID 153386931) is 3-[(2-methylpyrrolidin-1-yl)methyl]-3,4-dihydropyridine.
What is the SMILES notation for 3-[(2-methylpyrrolidin-1-yl)methyl]-3,4-dihydropyridine?
The canonical SMILES for 3-[(2-methylpyrrolidin-1-yl)methyl]-3,4-dihydropyridine is CC1CCCN1CC1C=NC=CC1.
What is the InChIKey of 3-[(2-methylpyrrolidin-1-yl)methyl]-3,4-dihydropyridine?
The InChIKey is ZEJJUNWKHFBPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-10-4-3-7-13(10)9-11-5-2-6-12-8-11/h2,6,8,10-11H,3-5,7,9H2,1H3.
What are the key properties of 3-[(2-methylpyrrolidin-1-yl)methyl]-3,4-dihydropyridine?
3-[(2-methylpyrrolidin-1-yl)methyl]-3,4-dihydropyridine has a molecular weight of 178.28 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpyrrolidin-1-yl)methyl]-3,4-dihydropyridine is sourced from PubChem (CID 153386931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).