[(7R,8aS)-7-(2-pyrrolidin-1-ylethoxy)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylfuran-3-yl)methanone

C19H29N3O3 — CID 97408104

IUPAC[(7R,8aS)-7-(2-pyrrolidin-1-ylethoxy)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1CCN2C[C@H](OCCN3CCCC3)C[C@H]2C1
InChIInChI=1S/C19H29N3O3/c1-15-18(4-10-24-15)19(23)22-8-7-21-14-17(12-16(21)13-22)25-11-9-20-5-2-3-6-20/h4,10,16-17H,2-3,5-9,11-14H2,1H3/t16-,17+/m0/s1
InChIKeyZHPZTRNYXZSFHV-DLBZAZTESA-N
MW347.46 g/mol
LogP1.60
Rot. Bonds5

About [(7R,8aS)-7-(2-pyrrolidin-1-ylethoxy)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylfuran-3-yl)methanone

[(7R,8aS)-7-(2-pyrrolidin-1-ylethoxy)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylfuran-3-yl)methanone (PubChem CID 97408104) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is [(7R,8aS)-7-(2-pyrrolidin-1-ylethoxy)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name[(7R,8aS)-7-(2-pyrrolidin-1-ylethoxy)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylfuran-3-yl)methanone
PubChem CID97408104
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name[(7R,8aS)-7-(2-pyrrolidin-1-ylethoxy)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1CCN2C[C@H](OCCN3CCCC3)C[C@H]2C1
InChIInChI=1S/C19H29N3O3/c1-15-18(4-10-24-15)19(23)22-8-7-21-14-17(12-16(21)13-22)25-11-9-20-5-2-3-6-20/h4,10,16-17H,2-3,5-9,11-14H2,1H3/t16-,17+/m0/s1
InChIKeyZHPZTRNYXZSFHV-DLBZAZTESA-N
XLogP1.60
TPSA49.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(7R,8aS)-7-(2-pyrrolidin-1-ylethoxy)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylfuran-3-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(7R,8aS)-7-(2-pyrrolidin-1-ylethoxy)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylfuran-3-yl)methanone?
The IUPAC name of [(7R,8aS)-7-(2-pyrrolidin-1-ylethoxy)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylfuran-3-yl)methanone (CID 97408104) is [(7R,8aS)-7-(2-pyrrolidin-1-ylethoxy)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for [(7R,8aS)-7-(2-pyrrolidin-1-ylethoxy)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylfuran-3-yl)methanone?
The canonical SMILES for [(7R,8aS)-7-(2-pyrrolidin-1-ylethoxy)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylfuran-3-yl)methanone is Cc1occc1C(=O)N1CCN2C[C@H](OCCN3CCCC3)C[C@H]2C1.
What is the InChIKey of [(7R,8aS)-7-(2-pyrrolidin-1-ylethoxy)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylfuran-3-yl)methanone?
The InChIKey is ZHPZTRNYXZSFHV-DLBZAZTESA-N. The full InChI is InChI=1S/C19H29N3O3/c1-15-18(4-10-24-15)19(23)22-8-7-21-14-17(12-16(21)13-22)25-11-9-20-5-2-3-6-20/h4,10,16-17H,2-3,5-9,11-14H2,1H3/t16-,17+/m0/s1.
What are the key properties of [(7R,8aS)-7-(2-pyrrolidin-1-ylethoxy)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylfuran-3-yl)methanone?
[(7R,8aS)-7-(2-pyrrolidin-1-ylethoxy)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylfuran-3-yl)methanone has a molecular weight of 347.46 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(7R,8aS)-7-(2-pyrrolidin-1-ylethoxy)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 97408104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).