3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(3,6,7-trimethyl-1-benzofuran-2-yl)methanone

C19H24N2O2 — CID 45195094

IUPAC3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(3,6,7-trimethyl-1-benzofuran-2-yl)methanone
SMILESCc1ccc2c(C)c(C(=O)N3CCN4CCCC4C3)oc2c1C
InChIInChI=1S/C19H24N2O2/c1-12-6-7-16-14(3)18(23-17(16)13(12)2)19(22)21-10-9-20-8-4-5-15(20)11-21/h6-7,15H,4-5,8-11H2,1-3H3
InChIKeyRCBIPKPBMHPJTK-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.28
Rot. Bonds1

About 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(3,6,7-trimethyl-1-benzofuran-2-yl)methanone

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(3,6,7-trimethyl-1-benzofuran-2-yl)methanone (PubChem CID 45195094) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(3,6,7-trimethyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(3,6,7-trimethyl-1-benzofuran-2-yl)methanone
PubChem CID45195094
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(3,6,7-trimethyl-1-benzofuran-2-yl)methanone
SMILESCc1ccc2c(C)c(C(=O)N3CCN4CCCC4C3)oc2c1C
InChIInChI=1S/C19H24N2O2/c1-12-6-7-16-14(3)18(23-17(16)13(12)2)19(22)21-10-9-20-8-4-5-15(20)11-21/h6-7,15H,4-5,8-11H2,1-3H3
InChIKeyRCBIPKPBMHPJTK-UHFFFAOYSA-N
XLogP3.28
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(3,6,7-trimethyl-1-benzofuran-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(5-methylfuran-3-yl)methanone
CID 127981809
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-3-methylphenyl)methanone
CID 54906207
(5-bromo-2-methylphenyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 65309799
N-cyclobutyl-3,6,7-trimethyl-1-benzofuran-2-carboxamide
CID 26394079
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(2-sulfanylphenyl)methanone
CID 107032362
[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-(2,4,5-trimethylfuran-3-yl)methanone
CID 97002567
[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[4-(2-methylphenyl)phenyl]methanone
CID 99987199
[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone
CID 70731737
(7-chloro-3-methyl-1-benzofuran-2-yl)-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methanone
CID 17420074
[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]-(3,4,7-trimethyl-1-benzofuran-2-yl)methanone
CID 95736616
(3-amino-4-methylphenyl)-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)methanone
CID 63150370
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-(4-hydroxy-2-methylphenyl)methanone
CID 103863739

Frequently Asked Questions

What is the IUPAC name of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(3,6,7-trimethyl-1-benzofuran-2-yl)methanone?
The IUPAC name of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(3,6,7-trimethyl-1-benzofuran-2-yl)methanone (CID 45195094) is 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(3,6,7-trimethyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(3,6,7-trimethyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(3,6,7-trimethyl-1-benzofuran-2-yl)methanone is Cc1ccc2c(C)c(C(=O)N3CCN4CCCC4C3)oc2c1C.
What is the InChIKey of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(3,6,7-trimethyl-1-benzofuran-2-yl)methanone?
The InChIKey is RCBIPKPBMHPJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-12-6-7-16-14(3)18(23-17(16)13(12)2)19(22)21-10-9-20-8-4-5-15(20)11-21/h6-7,15H,4-5,8-11H2,1-3H3.
What are the key properties of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(3,6,7-trimethyl-1-benzofuran-2-yl)methanone?
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(3,6,7-trimethyl-1-benzofuran-2-yl)methanone has a molecular weight of 312.41 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(3,6,7-trimethyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 45195094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).