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

C16H28N2O2 — CID 91751199

IUPAC1-[(5R)-1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-2-one
SMILESCC(=O)C[C@H]1CCC(CC(=O)C[C@H]2CCCN2C)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/t13-,14-,15?/m1/s1
InChIKeyUBFAEXSSMSJTQV-GRKKQISMSA-N
MW280.41 g/mol
LogP1.87
Rot. Bonds6

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

1-[(5R)-1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-2-one (PubChem CID 91751199) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-[(5R)-1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[(5R)-1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-2-one
PubChem CID91751199
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-[(5R)-1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-2-one
SMILESCC(=O)C[C@H]1CCC(CC(=O)C[C@H]2CCCN2C)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/t13-,14-,15?/m1/s1
InChIKeyUBFAEXSSMSJTQV-GRKKQISMSA-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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Related Compounds

ethane;1-(1-methylpyrrolidin-2-yl)propan-2-one
CID 91473977
1-[(2S)-1-methylpyrrolidin-2-yl]propan-2-one;hydrochloride
CID 46242410
2-(1-methylpyrrolidin-2-yl)acetamide;hydrochloride
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1-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propan-2-one
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1-(1-cyclohexylpyrrolidin-2-yl)propan-2-one
CID 79546496
2-methyl-1-[2-(2-oxopropyl)pyrrolidin-1-yl]propan-1-one
CID 79539984
2,2-dideuterio-2-[(2R)-1-methylpyrrolidin-2-yl]acetic acid;hydrochloride
CID 87619351
1-[1-(2-hydroxypropyl)pyrrolidin-2-yl]propan-2-one
CID 79545888
3-(dimethylamino)-4-(1-methylpyrrolidin-2-yl)butan-2-one
CID 58143490
1-(1-propan-2-ylpiperidin-2-yl)propan-2-one
CID 79537839
1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-2-yl]propan-2-one
CID 82892304
2-methyl-1-[2-(2-oxopropyl)pyrrolidin-1-yl]butan-1-one
CID 79541210

Frequently Asked Questions

What is the IUPAC name of 1-[(5R)-1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-2-one?
The IUPAC name of 1-[(5R)-1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-2-one (CID 91751199) is 1-[(5R)-1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[(5R)-1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-2-one?
The canonical SMILES for 1-[(5R)-1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-2-one is CC(=O)C[C@H]1CCC(CC(=O)C[C@H]2CCCN2C)N1C.
What is the InChIKey of 1-[(5R)-1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-2-one?
The InChIKey is UBFAEXSSMSJTQV-GRKKQISMSA-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/t13-,14-,15?/m1/s1.
What are the key properties of 1-[(5R)-1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-2-one?
1-[(5R)-1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]-3-[(2R)-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-[(5R)-1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-2-one is sourced from PubChem (CID 91751199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).