1-[1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-2-one

C16H28N2O2 — CID 10265686

IUPAC1-[1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-2-one
SMILESCC(=O)CC1CCC(CC(=O)CC2CCCN2C)N1C
InChIInChI=1S/C16H28N2O2/c1-12(19)9-14-6-7-15(18(14)3)11-16(20)10-13-5-4-8-17(13)2/h13-15H,4-11H2,1-3H3
InChIKeyUBFAEXSSMSJTQV-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.87
Rot. Bonds6

About 1-[1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-2-one

1-[1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-2-one (PubChem CID 10265686) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-[1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-2-one.

Molecular Properties

Compound Name1-[1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-2-one
PubChem CID10265686
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-[1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-2-one
SMILESCC(=O)CC1CCC(CC(=O)CC2CCCN2C)N1C
InChIInChI=1S/C16H28N2O2/c1-12(19)9-14-6-7-15(18(14)3)11-16(20)10-13-5-4-8-17(13)2/h13-15H,4-11H2,1-3H3
InChIKeyUBFAEXSSMSJTQV-UHFFFAOYSA-N
XLogP1.87
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-2-one?
The IUPAC name of 1-[1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-2-one (CID 10265686) is 1-[1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-2-one.
What is the SMILES notation for 1-[1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-2-one?
The canonical SMILES for 1-[1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-2-one is CC(=O)CC1CCC(CC(=O)CC2CCCN2C)N1C.
What is the InChIKey of 1-[1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-2-one?
The InChIKey is UBFAEXSSMSJTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-12(19)9-14-6-7-15(18(14)3)11-16(20)10-13-5-4-8-17(13)2/h13-15H,4-11H2,1-3H3.
What are the key properties of 1-[1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-2-one?
1-[1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-2-one has a molecular weight of 280.41 g/mol, XLogP of 1.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-2-one is sourced from PubChem (CID 10265686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).