4-ethyl-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one

C14H20N2O3 — CID 131685100

IUPAC4-ethyl-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
SMILESCCN1C(=O)CC2C1CCN2C(=O)C1[C@H]2COC[C@@H]12
InChIInChI=1S/C14H20N2O3/c1-2-15-10-3-4-16(11(10)5-12(15)17)14(18)13-8-6-19-7-9(8)13/h8-11,13H,2-7H2,1H3/t8-,9+,10?,11?,13?
InChIKeyASWSQBRQHDJDQL-DDFSBNTJSA-N
MW264.32 g/mol
LogP0.10
Rot. Bonds2

About 4-ethyl-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one

4-ethyl-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one (PubChem CID 131685100) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-ethyl-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one.

Molecular Properties

Compound Name4-ethyl-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
PubChem CID131685100
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-ethyl-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
SMILESCCN1C(=O)CC2C1CCN2C(=O)C1[C@H]2COC[C@@H]12
InChIInChI=1S/C14H20N2O3/c1-2-15-10-3-4-16(11(10)5-12(15)17)14(18)13-8-6-19-7-9(8)13/h8-11,13H,2-7H2,1H3/t8-,9+,10?,11?,13?
InChIKeyASWSQBRQHDJDQL-DDFSBNTJSA-N
XLogP0.10
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one with MolForge

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Related Compounds

(5S,10R)-10-ethyl-1-methyl-9-[(1R,5S)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-1,9-diazaspiro[4.5]decan-2-one
CID 131684137
2-ethyl-6-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2,6-diazaspiro[4.5]decan-3-one
CID 131688663
[(2S,3R)-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone
CID 131683439
(3aS,6aR)-1-(2-methylfuran-3-carbonyl)-4-(pyridin-4-ylmethyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
CID 97378431
3-oxabicyclo[3.1.0]hexan-6-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 169182669
(3aR,6aS)-4-(cyclopropylmethyl)-1-(furan-2-carbonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
CID 97402397
(3aR,6aR)-4-(cyclopropylmethyl)-1-(pyrazine-2-carbonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
CID 124807428
1-[2-(dimethylamino)ethyl]-8-[(1R,5S)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-1,8-diazaspiro[4.5]decan-2-one
CID 131684386
1-(3-methyl-1,2-oxazole-4-carbonyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
CID 134078163
1-[(5-ethylfuran-2-yl)methyl]-4-(2-morpholin-4-ylethyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
CID 134690460
3-[[(3aS,6aR)-4-ethyl-5-oxo-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]methyl]benzonitrile
CID 98777131
(3aR,6aS)-4-(2-methoxyethyl)-1-(5-methylpyridine-3-carbonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
CID 97408112

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one?
The IUPAC name of 4-ethyl-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one (CID 131685100) is 4-ethyl-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one.
What is the SMILES notation for 4-ethyl-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one?
The canonical SMILES for 4-ethyl-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one is CCN1C(=O)CC2C1CCN2C(=O)C1[C@H]2COC[C@@H]12.
What is the InChIKey of 4-ethyl-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one?
The InChIKey is ASWSQBRQHDJDQL-DDFSBNTJSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-15-10-3-4-16(11(10)5-12(15)17)14(18)13-8-6-19-7-9(8)13/h8-11,13H,2-7H2,1H3/t8-,9+,10?,11?,13?.
What are the key properties of 4-ethyl-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one?
4-ethyl-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one has a molecular weight of 264.32 g/mol, XLogP of 0.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one is sourced from PubChem (CID 131685100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).