(3aS,6aR)-5-propyl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one

C8H15N3O — CID 131858735

IUPAC(3aS,6aR)-5-propyl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one
SMILESCCCN1C[C@H]2CNN[C@H]2C1=O
InChIInChI=1S/C8H15N3O/c1-2-3-11-5-6-4-9-10-7(6)8(11)12/h6-7,9-10H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeyOSLCDEYVCCQPEV-RNFRBKRXSA-N
MW169.23 g/mol
LogP-0.67
Rot. Bonds2

About (3aS,6aR)-5-propyl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one

(3aS,6aR)-5-propyl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 131858735) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is (3aS,6aR)-5-propyl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name(3aS,6aR)-5-propyl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one
PubChem CID131858735
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name(3aS,6aR)-5-propyl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one
SMILESCCCN1C[C@H]2CNN[C@H]2C1=O
InChIInChI=1S/C8H15N3O/c1-2-3-11-5-6-4-9-10-7(6)8(11)12/h6-7,9-10H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeyOSLCDEYVCCQPEV-RNFRBKRXSA-N
XLogP-0.67
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3aS,6aR)-5-propyl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one with MolForge

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Related Compounds

3-cyclopropyl-1-propylpiperazine-2,5-dione
CID 64879619
5-propyl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione
CID 75146557
(4aR,7aS)-1-ethyl-3-hydroxy-6-propyl-4,4a,5,7a-tetrahydropyrrolo[3,4-d]pyrimidine-2,7-dione
CID 138711851
3-cyclohexyl-1-propyl-1,4-diazepane-2,5-dione
CID 64883054
7-methyl-1-propyl-1,5-diazocan-2-one
CID 117014854
(4S,4aR,7S,7aR)-4,7-dimethyl-2-propyl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyridin-1-one
CID 58725660
(2S,6S,8R)-9-hydroxysulfanyloxy-4-propyl-1,4,9-triazatricyclo[6.2.1.02,6]undecane-3,10-dione
CID 134383495
(3S)-5-oxo-1-propylpyrrolidine-3-carboxylic acid
CID 7583712
3-cyclopropyl-1,6-dipropylpiperazine-2,5-dione
CID 64886190
3-piperazin-1-yl-1-propylpyrrolidin-2-one
CID 82470862
1-propyl-1,3-diazinane-2,5-dione
CID 155748543
4-propylthiomorpholin-3-one
CID 56979350

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-5-propyl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of (3aS,6aR)-5-propyl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one (CID 131858735) is (3aS,6aR)-5-propyl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for (3aS,6aR)-5-propyl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for (3aS,6aR)-5-propyl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one is CCCN1C[C@H]2CNN[C@H]2C1=O.
What is the InChIKey of (3aS,6aR)-5-propyl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is OSLCDEYVCCQPEV-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H15N3O/c1-2-3-11-5-6-4-9-10-7(6)8(11)12/h6-7,9-10H,2-5H2,1H3/t6-,7-/m1/s1.
What are the key properties of (3aS,6aR)-5-propyl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one?
(3aS,6aR)-5-propyl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 169.23 g/mol, XLogP of -0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-5-propyl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 131858735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).