(4R)-4-[(4R,5R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidin-2-one

C11H19NO3 — CID 56647108

IUPAC(4R)-4-[(4R,5R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidin-2-one
SMILESCC[C@H]1OC(C)(C)O[C@@H]1[C@H]1CNC(=O)C1
InChIInChI=1S/C11H19NO3/c1-4-8-10(15-11(2,3)14-8)7-5-9(13)12-6-7/h7-8,10H,4-6H2,1-3H3,(H,12,13)/t7-,8-,10-/m1/s1
InChIKeyMBKHISVFRPFLDA-NQMVMOMDSA-N
MW213.28 g/mol
LogP1.05
Rot. Bonds2

About (4R)-4-[(4R,5R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidin-2-one

(4R)-4-[(4R,5R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidin-2-one (PubChem CID 56647108) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is (4R)-4-[(4R,5R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(4R,5R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidin-2-one
PubChem CID56647108
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name(4R)-4-[(4R,5R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidin-2-one
SMILESCC[C@H]1OC(C)(C)O[C@@H]1[C@H]1CNC(=O)C1
InChIInChI=1S/C11H19NO3/c1-4-8-10(15-11(2,3)14-8)7-5-9(13)12-6-7/h7-8,10H,4-6H2,1-3H3,(H,12,13)/t7-,8-,10-/m1/s1
InChIKeyMBKHISVFRPFLDA-NQMVMOMDSA-N
XLogP1.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R)-4-[(4R,5R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidin-2-one with MolForge

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Related Compounds

(6S)-6-ethyl-7-methoxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-one
CID 59901822
4-ethylpyrrolidin-2-one;2-methylpropane;propane
CID 144516344
(4S)-4-[(3R)-2,2-dimethyl-3-(2-methyl-1,3-dioxolan-2-yl)cyclobutyl]pyrrolidin-2-one
CID 102244957
4-hydroxypyrrolidin-2-one;propane
CID 169229949
(4R,5S)-5-[(4R,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-propyl-1,3-oxazolidin-2-one
CID 46237106
(4R,5S)-5-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-propyl-1,3-oxazolidin-2-one
CID 46236991
(1S,2S,6R,10R,14S,15S,19R,23R,27S,28S,32R,36R)-4,4,12,12,17,17,25,25,30,30,38,38-dodecamethyl-3,5,11,13,16,18,24,26,29,31,37,39-dodecaoxa-8,21,34-triazaheptacyclo[34.3.0.02,6.010,14.015,19.023,27.028,32]nonatriacontane-7,20,33-trione
CID 101272718
(1S,2S,6S,7S)-4,4-dimethyl-3,5,11-trioxa-9-azatricyclo[5.3.1.02,6]undecan-8-one
CID 15459905
4-hexylpyrrolidin-2-one
CID 18921442
4-nonylpyrrolidin-2-one
CID 143116205
(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)methylphosphane
CID 149474091
4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]pyrrolidin-2-one
CID 18657856

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(4R,5R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(4R,5R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidin-2-one (CID 56647108) is (4R)-4-[(4R,5R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(4R,5R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(4R,5R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidin-2-one is CC[C@H]1OC(C)(C)O[C@@H]1[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[(4R,5R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidin-2-one?
The InChIKey is MBKHISVFRPFLDA-NQMVMOMDSA-N. The full InChI is InChI=1S/C11H19NO3/c1-4-8-10(15-11(2,3)14-8)7-5-9(13)12-6-7/h7-8,10H,4-6H2,1-3H3,(H,12,13)/t7-,8-,10-/m1/s1.
What are the key properties of (4R)-4-[(4R,5R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidin-2-one?
(4R)-4-[(4R,5R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidin-2-one has a molecular weight of 213.28 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(4R,5R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 56647108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).