[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(1-propylcyclopropyl)methanone;hydrochloride

C13H23ClN2O — CID 120658201

IUPAC[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(1-propylcyclopropyl)methanone;hydrochloride
SMILESCCCC1(C(=O)N2C[C@H]3CNC[C@H]3C2)CC1.Cl
InChIInChI=1S/C13H22N2O.ClH/c1-2-3-13(4-5-13)12(16)15-8-10-6-14-7-11(10)9-15;/h10-11,14H,2-9H2,1H3;1H/t10-,11+;
InChIKeySYVNBCSTTRBLNB-NJJJQDLFSA-N
MW258.79 g/mol
LogP1.67
Rot. Bonds3

About [(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(1-propylcyclopropyl)methanone;hydrochloride

[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(1-propylcyclopropyl)methanone;hydrochloride (PubChem CID 120658201) has the molecular formula C13H23ClN2O and a molecular weight of 258.79 g/mol. Its IUPAC name is [(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(1-propylcyclopropyl)methanone;hydrochloride.

Molecular Properties

Compound Name[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(1-propylcyclopropyl)methanone;hydrochloride
PubChem CID120658201
Molecular FormulaC13H23ClN2O
Molecular Weight258.79 g/mol
Exact Mass258.15
IUPAC Name[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(1-propylcyclopropyl)methanone;hydrochloride
SMILESCCCC1(C(=O)N2C[C@H]3CNC[C@H]3C2)CC1.Cl
InChIInChI=1S/C13H22N2O.ClH/c1-2-3-13(4-5-13)12(16)15-8-10-6-14-7-11(10)9-15;/h10-11,14H,2-9H2,1H3;1H/t10-,11+;
InChIKeySYVNBCSTTRBLNB-NJJJQDLFSA-N
XLogP1.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.79
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(1-propylcyclopropyl)methanone;hydrochloride with MolForge

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Related Compounds

1-(4-propylpiperidine-4-carbonyl)azetidine-3-carboxylic acid
CID 79310151
1-[1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]cyclopentyl]-3-ethylurea;hydrochloride
CID 120659189
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(4-propylpiperidin-4-yl)methanone
CID 81465453
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]ethanone;dihydrochloride
CID 119032040
1-(3-propylpyrrolidine-3-carbonyl)azetidine-3-carboxylic acid
CID 79308921
[3-(aminomethyl)piperidin-1-yl]-(1-propylcyclopropyl)methanone;hydrochloride
CID 119465050
[4-(methylaminomethyl)piperidin-1-yl]-(1-propylcyclopropyl)methanone;hydrochloride
CID 119545957
(3-aminopiperidin-1-yl)-(1-propylcyclopropyl)methanone
CID 119380695
(3,5-dimethylpiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 63132443
[(3R)-3-aminopyrrolidin-1-yl]-(1-propylcyclobutyl)methanone;hydrochloride
CID 119412481
[(3S)-3-aminopyrrolidin-1-yl]-(1-propylcyclobutyl)methanone;hydrochloride
CID 119934487
1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-ethoxyethanone
CID 66212770

Frequently Asked Questions

What is the IUPAC name of [(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(1-propylcyclopropyl)methanone;hydrochloride?
The IUPAC name of [(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(1-propylcyclopropyl)methanone;hydrochloride (CID 120658201) is [(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(1-propylcyclopropyl)methanone;hydrochloride.
What is the SMILES notation for [(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(1-propylcyclopropyl)methanone;hydrochloride?
The canonical SMILES for [(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(1-propylcyclopropyl)methanone;hydrochloride is CCCC1(C(=O)N2C[C@H]3CNC[C@H]3C2)CC1.Cl.
What is the InChIKey of [(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(1-propylcyclopropyl)methanone;hydrochloride?
The InChIKey is SYVNBCSTTRBLNB-NJJJQDLFSA-N. The full InChI is InChI=1S/C13H22N2O.ClH/c1-2-3-13(4-5-13)12(16)15-8-10-6-14-7-11(10)9-15;/h10-11,14H,2-9H2,1H3;1H/t10-,11+;.
What are the key properties of [(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(1-propylcyclopropyl)methanone;hydrochloride?
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(1-propylcyclopropyl)methanone;hydrochloride has a molecular weight of 258.79 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(1-propylcyclopropyl)methanone;hydrochloride is sourced from PubChem (CID 120658201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).