(8aR)-7-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C15H25N3O — CID 99832502

IUPAC(8aR)-7-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCC1=CCC[C@H](C)[C@H]1CN1CCN2C(=O)NC[C@@H]2C1
InChIInChI=1S/C15H25N3O/c1-11-4-3-5-12(2)14(11)10-17-6-7-18-13(9-17)8-16-15(18)19/h4,12-14H,3,5-10H2,1-2H3,(H,16,19)/t12-,13+,14-/m0/s1
InChIKeyDVCHTSDRHWOKMQ-MJBXVCDLSA-N
MW263.38 g/mol
LogP1.69
Rot. Bonds2

About (8aR)-7-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

(8aR)-7-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 99832502) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is (8aR)-7-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name(8aR)-7-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID99832502
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name(8aR)-7-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCC1=CCC[C@H](C)[C@H]1CN1CCN2C(=O)NC[C@@H]2C1
InChIInChI=1S/C15H25N3O/c1-11-4-3-5-12(2)14(11)10-17-6-7-18-13(9-17)8-16-15(18)19/h4,12-14H,3,5-10H2,1-2H3,(H,16,19)/t12-,13+,14-/m0/s1
InChIKeyDVCHTSDRHWOKMQ-MJBXVCDLSA-N
XLogP1.69
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (8aR)-7-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8aR)-7-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of (8aR)-7-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 99832502) is (8aR)-7-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for (8aR)-7-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for (8aR)-7-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is CC1=CCC[C@H](C)[C@H]1CN1CCN2C(=O)NC[C@@H]2C1.
What is the InChIKey of (8aR)-7-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is DVCHTSDRHWOKMQ-MJBXVCDLSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11-4-3-5-12(2)14(11)10-17-6-7-18-13(9-17)8-16-15(18)19/h4,12-14H,3,5-10H2,1-2H3,(H,16,19)/t12-,13+,14-/m0/s1.
What are the key properties of (8aR)-7-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
(8aR)-7-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 263.38 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-7-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 99832502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).