(3R)-3-(aminomethyl)-2-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one

C9H13N3O — CID 99727924

IUPAC(3R)-3-(aminomethyl)-2-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
SMILESCN1C(=O)c2cccn2C[C@H]1CN
InChIInChI=1S/C9H13N3O/c1-11-7(5-10)6-12-4-2-3-8(12)9(11)13/h2-4,7H,5-6,10H2,1H3/t7-/m1/s1
InChIKeyLTPNIBJYDJTQNJ-SSDOTTSWSA-N
MW179.22 g/mol
LogP-0.10
Rot. Bonds1

About (3R)-3-(aminomethyl)-2-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one

(3R)-3-(aminomethyl)-2-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one (PubChem CID 99727924) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is (3R)-3-(aminomethyl)-2-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name(3R)-3-(aminomethyl)-2-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
PubChem CID99727924
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name(3R)-3-(aminomethyl)-2-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
SMILESCN1C(=O)c2cccn2C[C@H]1CN
InChIInChI=1S/C9H13N3O/c1-11-7(5-10)6-12-4-2-3-8(12)9(11)13/h2-4,7H,5-6,10H2,1H3/t7-/m1/s1
InChIKeyLTPNIBJYDJTQNJ-SSDOTTSWSA-N
XLogP-0.10
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(aminomethyl)-2-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of (3R)-3-(aminomethyl)-2-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one (CID 99727924) is (3R)-3-(aminomethyl)-2-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for (3R)-3-(aminomethyl)-2-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for (3R)-3-(aminomethyl)-2-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one is CN1C(=O)c2cccn2C[C@H]1CN.
What is the InChIKey of (3R)-3-(aminomethyl)-2-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is LTPNIBJYDJTQNJ-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H13N3O/c1-11-7(5-10)6-12-4-2-3-8(12)9(11)13/h2-4,7H,5-6,10H2,1H3/t7-/m1/s1.
What are the key properties of (3R)-3-(aminomethyl)-2-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
(3R)-3-(aminomethyl)-2-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 179.22 g/mol, XLogP of -0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(aminomethyl)-2-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 99727924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).