2-methyl-4-[(3R)-3-methylpyrrolidin-1-yl]-3-propylpyridine;pentan-2-one

C19H32N2O — CID 177040578

IUPAC2-methyl-4-[(3R)-3-methylpyrrolidin-1-yl]-3-propylpyridine;pentan-2-one
SMILESCCCC(C)=O.CCCc1c(N2CC[C@@H](C)C2)ccnc1C
InChIInChI=1S/C14H22N2.C5H10O/c1-4-5-13-12(3)15-8-6-14(13)16-9-7-11(2)10-16;1-3-4-5(2)6/h6,8,11H,4-5,7,9-10H2,1-3H3;3-4H2,1-2H3/t11-;/m1./s1
InChIKeyGPDGRSHWEKDMDH-RFVHGSKJSA-N
MW304.48 g/mol
LogP4.56
Rot. Bonds5

About 2-methyl-4-[(3R)-3-methylpyrrolidin-1-yl]-3-propylpyridine;pentan-2-one

2-methyl-4-[(3R)-3-methylpyrrolidin-1-yl]-3-propylpyridine;pentan-2-one (PubChem CID 177040578) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is 2-methyl-4-[(3R)-3-methylpyrrolidin-1-yl]-3-propylpyridine;pentan-2-one.

Molecular Properties

Compound Name2-methyl-4-[(3R)-3-methylpyrrolidin-1-yl]-3-propylpyridine;pentan-2-one
PubChem CID177040578
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC Name2-methyl-4-[(3R)-3-methylpyrrolidin-1-yl]-3-propylpyridine;pentan-2-one
SMILESCCCC(C)=O.CCCc1c(N2CC[C@@H](C)C2)ccnc1C
InChIInChI=1S/C14H22N2.C5H10O/c1-4-5-13-12(3)15-8-6-14(13)16-9-7-11(2)10-16;1-3-4-5(2)6/h6,8,11H,4-5,7,9-10H2,1-3H3;3-4H2,1-2H3/t11-;/m1./s1
InChIKeyGPDGRSHWEKDMDH-RFVHGSKJSA-N
XLogP4.56
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(3R)-3-methylpyrrolidin-1-yl]-3-propylpyridine;pentan-2-one?
The IUPAC name of 2-methyl-4-[(3R)-3-methylpyrrolidin-1-yl]-3-propylpyridine;pentan-2-one (CID 177040578) is 2-methyl-4-[(3R)-3-methylpyrrolidin-1-yl]-3-propylpyridine;pentan-2-one.
What is the SMILES notation for 2-methyl-4-[(3R)-3-methylpyrrolidin-1-yl]-3-propylpyridine;pentan-2-one?
The canonical SMILES for 2-methyl-4-[(3R)-3-methylpyrrolidin-1-yl]-3-propylpyridine;pentan-2-one is CCCC(C)=O.CCCc1c(N2CC[C@@H](C)C2)ccnc1C.
What is the InChIKey of 2-methyl-4-[(3R)-3-methylpyrrolidin-1-yl]-3-propylpyridine;pentan-2-one?
The InChIKey is GPDGRSHWEKDMDH-RFVHGSKJSA-N. The full InChI is InChI=1S/C14H22N2.C5H10O/c1-4-5-13-12(3)15-8-6-14(13)16-9-7-11(2)10-16;1-3-4-5(2)6/h6,8,11H,4-5,7,9-10H2,1-3H3;3-4H2,1-2H3/t11-;/m1./s1.
What are the key properties of 2-methyl-4-[(3R)-3-methylpyrrolidin-1-yl]-3-propylpyridine;pentan-2-one?
2-methyl-4-[(3R)-3-methylpyrrolidin-1-yl]-3-propylpyridine;pentan-2-one has a molecular weight of 304.48 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(3R)-3-methylpyrrolidin-1-yl]-3-propylpyridine;pentan-2-one is sourced from PubChem (CID 177040578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).