(3S,7R,8aR)-2-[[5-(2-chlorophenyl)furan-2-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol

C19H23ClN2O2 — CID 92604080

IUPAC(3S,7R,8aR)-2-[[5-(2-chlorophenyl)furan-2-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
SMILESC[C@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C19H23ClN2O2/c1-13-9-22-11-15(23)8-14(22)10-21(13)12-16-6-7-19(24-16)17-4-2-3-5-18(17)20/h2-7,13-15,23H,8-12H2,1H3/t13-,14+,15+/m0/s1
InChIKeyXNIGATOWDBZRCB-RRFJBIMHSA-N
MW346.86 g/mol
LogP3.24
Rot. Bonds3

About (3S,7R,8aR)-2-[[5-(2-chlorophenyl)furan-2-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol

(3S,7R,8aR)-2-[[5-(2-chlorophenyl)furan-2-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol (PubChem CID 92604080) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is (3S,7R,8aR)-2-[[5-(2-chlorophenyl)furan-2-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol.

Molecular Properties

Compound Name(3S,7R,8aR)-2-[[5-(2-chlorophenyl)furan-2-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
PubChem CID92604080
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name(3S,7R,8aR)-2-[[5-(2-chlorophenyl)furan-2-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
SMILESC[C@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C19H23ClN2O2/c1-13-9-22-11-15(23)8-14(22)10-21(13)12-16-6-7-19(24-16)17-4-2-3-5-18(17)20/h2-7,13-15,23H,8-12H2,1H3/t13-,14+,15+/m0/s1
InChIKeyXNIGATOWDBZRCB-RRFJBIMHSA-N
XLogP3.24
TPSA39.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S,7R,8aR)-2-[[5-(2-chlorophenyl)furan-2-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol with MolForge

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Related Compounds

(3S,7R)-2-[[5-(2-chlorophenyl)furan-2-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 110211348
(3R,7R)-2-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 110211426
(3R,7R,8aS)-3-methyl-2-[(5-methylfuran-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 95857033
(3S,7R,8aR)-2-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 95792258
(3R,7R,8aS)-2-[(3-chlorophenyl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 95857054
(3S,7R,8aR)-2-[(2-fluorophenyl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 95856971
(3S,7R)-3-methyl-2-(pyridin-2-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 110225830
(3S,7R,8aS)-3-methyl-2-[(4-methylsulfanylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 95857008
(3S,7R)-3-methyl-2-[(4-methylsulfanylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 110225834
(3R,7R,8aR)-3-methyl-2-(3-phenylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 95857055
(3R,7R)-3-methyl-2-[(4-morpholin-4-ylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 110211417
(3S,7R)-3-methyl-2-[(4-morpholin-4-ylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 110211341

Frequently Asked Questions

What is the IUPAC name of (3S,7R,8aR)-2-[[5-(2-chlorophenyl)furan-2-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol?
The IUPAC name of (3S,7R,8aR)-2-[[5-(2-chlorophenyl)furan-2-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol (CID 92604080) is (3S,7R,8aR)-2-[[5-(2-chlorophenyl)furan-2-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol.
What is the SMILES notation for (3S,7R,8aR)-2-[[5-(2-chlorophenyl)furan-2-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol?
The canonical SMILES for (3S,7R,8aR)-2-[[5-(2-chlorophenyl)furan-2-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol is C[C@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1ccc(-c2ccccc2Cl)o1.
What is the InChIKey of (3S,7R,8aR)-2-[[5-(2-chlorophenyl)furan-2-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol?
The InChIKey is XNIGATOWDBZRCB-RRFJBIMHSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-13-9-22-11-15(23)8-14(22)10-21(13)12-16-6-7-19(24-16)17-4-2-3-5-18(17)20/h2-7,13-15,23H,8-12H2,1H3/t13-,14+,15+/m0/s1.
What are the key properties of (3S,7R,8aR)-2-[[5-(2-chlorophenyl)furan-2-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol?
(3S,7R,8aR)-2-[[5-(2-chlorophenyl)furan-2-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol has a molecular weight of 346.86 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,7R,8aR)-2-[[5-(2-chlorophenyl)furan-2-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol is sourced from PubChem (CID 92604080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).