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

C14H26N2O2 — CID 106981172

IUPAC[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(3-propan-2-ylpyrrolidin-3-yl)methanone
SMILESCC(O)C1CCN(C(=O)C2(C(C)C)CCNC2)C1
InChIInChI=1S/C14H26N2O2/c1-10(2)14(5-6-15-9-14)13(18)16-7-4-12(8-16)11(3)17/h10-12,15,17H,4-9H2,1-3H3
InChIKeyCOMAHWXNZSSLSI-UHFFFAOYSA-N
MW254.37 g/mol
LogP0.85
Rot. Bonds3

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

[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(3-propan-2-ylpyrrolidin-3-yl)methanone (PubChem CID 106981172) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(3-propan-2-ylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(3-propan-2-ylpyrrolidin-3-yl)methanone
PubChem CID106981172
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(3-propan-2-ylpyrrolidin-3-yl)methanone
SMILESCC(O)C1CCN(C(=O)C2(C(C)C)CCNC2)C1
InChIInChI=1S/C14H26N2O2/c1-10(2)14(5-6-15-9-14)13(18)16-7-4-12(8-16)11(3)17/h10-12,15,17H,4-9H2,1-3H3
InChIKeyCOMAHWXNZSSLSI-UHFFFAOYSA-N
XLogP0.85
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-hydroxypyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106980620
(4-hydroxy-3-methylpiperidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106981349
(3,4-dimethylpyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106980906
(4-methylsulfanylpiperidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 114237027
(3R)-1-(3-propan-2-ylpyrrolidine-3-carbonyl)piperidine-3-carboxylic acid
CID 106981005
methyl N-[1-(3-propan-2-ylpyrrolidine-3-carbonyl)pyrrolidin-3-yl]carbamate
CID 106981194
(3-morpholin-4-ylpyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106980656
(3-ethyl-4-methylpiperazin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106980687
(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)-(3-propoxypiperidin-1-yl)methanone
CID 106980335
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-methylcyclohexyl)methanone
CID 105081761
2-[1-(3-propan-2-ylpyrrolidine-3-carbonyl)piperidin-3-yl]acetic acid
CID 106980595

Frequently Asked Questions

What is the IUPAC name of [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The IUPAC name of [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(3-propan-2-ylpyrrolidin-3-yl)methanone (CID 106981172) is [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(3-propan-2-ylpyrrolidin-3-yl)methanone.
What is the SMILES notation for [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The canonical SMILES for [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(3-propan-2-ylpyrrolidin-3-yl)methanone is CC(O)C1CCN(C(=O)C2(C(C)C)CCNC2)C1.
What is the InChIKey of [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The InChIKey is COMAHWXNZSSLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-10(2)14(5-6-15-9-14)13(18)16-7-4-12(8-16)11(3)17/h10-12,15,17H,4-9H2,1-3H3.
What are the key properties of [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(3-propan-2-ylpyrrolidin-3-yl)methanone?
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(3-propan-2-ylpyrrolidin-3-yl)methanone has a molecular weight of 254.37 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(3-propan-2-ylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 106981172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).