1-methyl-3-(1-oxaspiro[5.5]undecan-4-ylamino)pyrrolidin-2-one

C15H26N2O2 — CID 103792111

IUPAC1-methyl-3-(1-oxaspiro[5.5]undecan-4-ylamino)pyrrolidin-2-one
SMILESCN1CCC(NC2CCOC3(CCCCC3)C2)C1=O
InChIInChI=1S/C15H26N2O2/c1-17-9-5-13(14(17)18)16-12-6-10-19-15(11-12)7-3-2-4-8-15/h12-13,16H,2-11H2,1H3
InChIKeyQDTLVUZIOYABIR-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.69
Rot. Bonds2

About 1-methyl-3-(1-oxaspiro[5.5]undecan-4-ylamino)pyrrolidin-2-one

1-methyl-3-(1-oxaspiro[5.5]undecan-4-ylamino)pyrrolidin-2-one (PubChem CID 103792111) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-methyl-3-(1-oxaspiro[5.5]undecan-4-ylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-(1-oxaspiro[5.5]undecan-4-ylamino)pyrrolidin-2-one
PubChem CID103792111
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-methyl-3-(1-oxaspiro[5.5]undecan-4-ylamino)pyrrolidin-2-one
SMILESCN1CCC(NC2CCOC3(CCCCC3)C2)C1=O
InChIInChI=1S/C15H26N2O2/c1-17-9-5-13(14(17)18)16-12-6-10-19-15(11-12)7-3-2-4-8-15/h12-13,16H,2-11H2,1H3
InChIKeyQDTLVUZIOYABIR-UHFFFAOYSA-N
XLogP1.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-(1-oxaspiro[5.5]undecan-4-ylamino)piperidine-2,6-dione
CID 79900518
N-cyclobutyl-1-oxaspiro[5.5]undecan-4-amine
CID 79895616
3-(1-oxaspiro[5.5]undecan-4-ylamino)piperidin-2-one
CID 79895755
3-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-1-methylpiperidine-2,6-dione
CID 79900516
N-cyclohexyl-1-oxaspiro[5.5]undecan-4-amine
CID 79898516
methyl 4-(6-oxaspiro[4.5]decan-9-ylamino)piperidine-1-carboxylate
CID 71915372
N-(1-methylcyclopentyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79895290
1-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)pyrrolidine-2,5-dione
CID 79903697
N-(1,1-dioxothian-4-yl)-1-oxaspiro[5.5]undecan-4-amine
CID 79895341
N-(2,3-dimethylcyclohexyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79897645
N-(1-oxaspiro[5.5]undecan-4-yl)acetamide
CID 51358556
1-methylsulfonyl-N-(5-oxaspiro[3.5]nonan-8-yl)piperidin-4-amine
CID 79895699

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1-oxaspiro[5.5]undecan-4-ylamino)pyrrolidin-2-one?
The IUPAC name of 1-methyl-3-(1-oxaspiro[5.5]undecan-4-ylamino)pyrrolidin-2-one (CID 103792111) is 1-methyl-3-(1-oxaspiro[5.5]undecan-4-ylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-(1-oxaspiro[5.5]undecan-4-ylamino)pyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-(1-oxaspiro[5.5]undecan-4-ylamino)pyrrolidin-2-one is CN1CCC(NC2CCOC3(CCCCC3)C2)C1=O.
What is the InChIKey of 1-methyl-3-(1-oxaspiro[5.5]undecan-4-ylamino)pyrrolidin-2-one?
The InChIKey is QDTLVUZIOYABIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-17-9-5-13(14(17)18)16-12-6-10-19-15(11-12)7-3-2-4-8-15/h12-13,16H,2-11H2,1H3.
What are the key properties of 1-methyl-3-(1-oxaspiro[5.5]undecan-4-ylamino)pyrrolidin-2-one?
1-methyl-3-(1-oxaspiro[5.5]undecan-4-ylamino)pyrrolidin-2-one has a molecular weight of 266.38 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1-oxaspiro[5.5]undecan-4-ylamino)pyrrolidin-2-one is sourced from PubChem (CID 103792111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).