1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-phenylmethoxypropan-2-ol

C18H24N2O2 — CID 2998486

IUPAC1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-phenylmethoxypropan-2-ol
SMILESCC1c2cccn2CCN1CC(O)COCc1ccccc1
InChIInChI=1S/C18H24N2O2/c1-15-18-8-5-9-19(18)10-11-20(15)12-17(21)14-22-13-16-6-3-2-4-7-16/h2-9,15,17,21H,10-14H2,1H3
InChIKeySHGKQKIAWWNAOX-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.44
Rot. Bonds6

About 1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-phenylmethoxypropan-2-ol

1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-phenylmethoxypropan-2-ol (PubChem CID 2998486) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-phenylmethoxypropan-2-ol
PubChem CID2998486
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-phenylmethoxypropan-2-ol
SMILESCC1c2cccn2CCN1CC(O)COCc1ccccc1
InChIInChI=1S/C18H24N2O2/c1-15-18-8-5-9-19(18)10-11-20(15)12-17(21)14-22-13-16-6-3-2-4-7-16/h2-9,15,17,21H,10-14H2,1H3
InChIKeySHGKQKIAWWNAOX-UHFFFAOYSA-N
XLogP2.44
TPSA37.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-phenylmethoxypropan-2-ol?
The IUPAC name of 1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-phenylmethoxypropan-2-ol (CID 2998486) is 1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-phenylmethoxypropan-2-ol is CC1c2cccn2CCN1CC(O)COCc1ccccc1.
What is the InChIKey of 1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-phenylmethoxypropan-2-ol?
The InChIKey is SHGKQKIAWWNAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-15-18-8-5-9-19(18)10-11-20(15)12-17(21)14-22-13-16-6-3-2-4-7-16/h2-9,15,17,21H,10-14H2,1H3.
What are the key properties of 1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-phenylmethoxypropan-2-ol?
1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-phenylmethoxypropan-2-ol has a molecular weight of 300.40 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 2998486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).