(2S)-2-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-one

C15H25N3O — CID 107144351

IUPAC(2S)-2-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-one
SMILESCCCC[C@H](N)C(=O)N1CCn2c(C)ccc2C1C
InChIInChI=1S/C15H25N3O/c1-4-5-6-13(16)15(19)18-10-9-17-11(2)7-8-14(17)12(18)3/h7-8,12-13H,4-6,9-10,16H2,1-3H3/t12?,13-/m0/s1
InChIKeyLRUSATRMORPYFW-ABLWVSNPSA-N
MW263.38 g/mol
LogP2.22
Rot. Bonds4

About (2S)-2-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-one

(2S)-2-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-one (PubChem CID 107144351) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is (2S)-2-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-one
PubChem CID107144351
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name(2S)-2-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-one
SMILESCCCC[C@H](N)C(=O)N1CCn2c(C)ccc2C1C
InChIInChI=1S/C15H25N3O/c1-4-5-6-13(16)15(19)18-10-9-17-11(2)7-8-14(17)12(18)3/h7-8,12-13H,4-6,9-10,16H2,1-3H3/t12?,13-/m0/s1
InChIKeyLRUSATRMORPYFW-ABLWVSNPSA-N
XLogP2.22
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-one?
The IUPAC name of (2S)-2-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-one (CID 107144351) is (2S)-2-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-one?
The canonical SMILES for (2S)-2-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-one is CCCC[C@H](N)C(=O)N1CCn2c(C)ccc2C1C.
What is the InChIKey of (2S)-2-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-one?
The InChIKey is LRUSATRMORPYFW-ABLWVSNPSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-5-6-13(16)15(19)18-10-9-17-11(2)7-8-14(17)12(18)3/h7-8,12-13H,4-6,9-10,16H2,1-3H3/t12?,13-/m0/s1.
What are the key properties of (2S)-2-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-one?
(2S)-2-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-one has a molecular weight of 263.38 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-one is sourced from PubChem (CID 107144351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).