(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(3-methoxy-4-pyridinyl)methanone

C15H21N3O2 — CID 105064142

IUPAC(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(3-methoxy-4-pyridinyl)methanone
SMILESCCC1C2CNCC2CN1C(=O)c1ccncc1OC
InChIInChI=1S/C15H21N3O2/c1-3-13-12-7-17-6-10(12)9-18(13)15(19)11-4-5-16-8-14(11)20-2/h4-5,8,10,12-13,17H,3,6-7,9H2,1-2H3
InChIKeyGIXNFVSDXXFTQD-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.16
Rot. Bonds3

About (4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(3-methoxy-4-pyridinyl)methanone

(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(3-methoxy-4-pyridinyl)methanone (PubChem CID 105064142) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is (4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(3-methoxy-4-pyridinyl)methanone.

Molecular Properties

Compound Name(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(3-methoxy-4-pyridinyl)methanone
PubChem CID105064142
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(3-methoxy-4-pyridinyl)methanone
SMILESCCC1C2CNCC2CN1C(=O)c1ccncc1OC
InChIInChI=1S/C15H21N3O2/c1-3-13-12-7-17-6-10(12)9-18(13)15(19)11-4-5-16-8-14(11)20-2/h4-5,8,10,12-13,17H,3,6-7,9H2,1-2H3
InChIKeyGIXNFVSDXXFTQD-UHFFFAOYSA-N
XLogP1.16
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(3-methoxy-4-pyridinyl)methanone?
The IUPAC name of (4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(3-methoxy-4-pyridinyl)methanone (CID 105064142) is (4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(3-methoxy-4-pyridinyl)methanone.
What is the SMILES notation for (4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(3-methoxy-4-pyridinyl)methanone?
The canonical SMILES for (4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(3-methoxy-4-pyridinyl)methanone is CCC1C2CNCC2CN1C(=O)c1ccncc1OC.
What is the InChIKey of (4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(3-methoxy-4-pyridinyl)methanone?
The InChIKey is GIXNFVSDXXFTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-13-12-7-17-6-10(12)9-18(13)15(19)11-4-5-16-8-14(11)20-2/h4-5,8,10,12-13,17H,3,6-7,9H2,1-2H3.
What are the key properties of (4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(3-methoxy-4-pyridinyl)methanone?
(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(3-methoxy-4-pyridinyl)methanone has a molecular weight of 275.35 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(3-methoxy-4-pyridinyl)methanone is sourced from PubChem (CID 105064142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).