[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-propan-2-ylpyrrolidin-3-yl)methanone

C13H24N2O2 — CID 107217784

IUPAC[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-propan-2-ylpyrrolidin-3-yl)methanone
SMILESCC(C)C1(C(=O)N2CCC[C@@H]2CO)CCNC1
InChIInChI=1S/C13H24N2O2/c1-10(2)13(5-6-14-9-13)12(17)15-7-3-4-11(15)8-16/h10-11,14,16H,3-9H2,1-2H3/t11-,13?/m1/s1
InChIKeyVPIJBJDYNSNCKI-JTDNENJMSA-N
MW240.35 g/mol
LogP0.61
Rot. Bonds3

About [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-propan-2-ylpyrrolidin-3-yl)methanone

[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-propan-2-ylpyrrolidin-3-yl)methanone (PubChem CID 107217784) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-propan-2-ylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-propan-2-ylpyrrolidin-3-yl)methanone
PubChem CID107217784
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-propan-2-ylpyrrolidin-3-yl)methanone
SMILESCC(C)C1(C(=O)N2CCC[C@@H]2CO)CCNC1
InChIInChI=1S/C13H24N2O2/c1-10(2)13(5-6-14-9-13)12(17)15-7-3-4-11(15)8-16/h10-11,14,16H,3-9H2,1-2H3/t11-,13?/m1/s1
InChIKeyVPIJBJDYNSNCKI-JTDNENJMSA-N
XLogP0.61
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylpiperidin-2-yl)methanone
CID 107217940
(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106981004
(3-propan-2-ylpyrrolidin-3-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 106980118
(2,6-dimethylpiperidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106979589
(3R)-1-(3-propan-2-ylpyrrolidine-3-carbonyl)piperidine-3-carboxylic acid
CID 106981005
2-[1-(3-propan-2-ylpyrrolidine-3-carbonyl)piperidin-3-yl]acetic acid
CID 106980595
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980920
8-azaspiro[4.5]decan-8-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106980652
(3-hydroxypyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106980620
3-methyl-4-(3-propan-2-ylpyrrolidine-3-carbonyl)piperazin-2-one
CID 106980684
(3-propan-2-ylpyrrolidin-3-yl)-(3-propoxypiperidin-1-yl)methanone
CID 106980335
(3-ethylpyrrolidin-3-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 63141995

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The IUPAC name of [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-propan-2-ylpyrrolidin-3-yl)methanone (CID 107217784) is [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-propan-2-ylpyrrolidin-3-yl)methanone.
What is the SMILES notation for [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The canonical SMILES for [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-propan-2-ylpyrrolidin-3-yl)methanone is CC(C)C1(C(=O)N2CCC[C@@H]2CO)CCNC1.
What is the InChIKey of [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The InChIKey is VPIJBJDYNSNCKI-JTDNENJMSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10(2)13(5-6-14-9-13)12(17)15-7-3-4-11(15)8-16/h10-11,14,16H,3-9H2,1-2H3/t11-,13?/m1/s1.
What are the key properties of [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-propan-2-ylpyrrolidin-3-yl)methanone?
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-propan-2-ylpyrrolidin-3-yl)methanone has a molecular weight of 240.35 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-propan-2-ylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 107217784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).