[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone;hydrochloride

C17H23ClN2O — CID 120657187

IUPAC[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone;hydrochloride
SMILESCl.O=C(c1ccc2c(c1)CCCC2)N1C[C@H]2CNC[C@H]2C1
InChIInChI=1S/C17H22N2O.ClH/c20-17(19-10-15-8-18-9-16(15)11-19)14-6-5-12-3-1-2-4-13(12)7-14;/h5-7,15-16,18H,1-4,8-11H2;1H/t15-,16+;
InChIKeyRVTRVFOLJDFONO-FAESNJTISA-N
MW306.84 g/mol
LogP2.28
Rot. Bonds1

About [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone;hydrochloride

[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone;hydrochloride (PubChem CID 120657187) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone;hydrochloride
PubChem CID120657187
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC Name[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone;hydrochloride
SMILESCl.O=C(c1ccc2c(c1)CCCC2)N1C[C@H]2CNC[C@H]2C1
InChIInChI=1S/C17H22N2O.ClH/c20-17(19-10-15-8-18-9-16(15)11-19)14-6-5-12-3-1-2-4-13(12)7-14;/h5-7,15-16,18H,1-4,8-11H2;1H/t15-,16+;
InChIKeyRVTRVFOLJDFONO-FAESNJTISA-N
XLogP2.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone;hydrochloride with MolForge

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Related Compounds

6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 120658327
6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 102711615
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanone
CID 120656165
1,4-diazepan-1-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methanone;hydrochloride
CID 119414334
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(3-chloro-4-iodophenyl)methanone;hydrochloride
CID 120656296
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(3-bromo-4-fluorophenyl)methanone;hydrochloride
CID 120657413
[(3S)-3-hydroxypyrrolidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 79029502
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[4-fluoro-3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 120660150
3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one;hydrochloride
CID 120657667
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[4-(methoxymethyl)phenyl]methanone;hydrochloride
CID 120656789
[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-pyridin-4-ylmethanone
CID 97031337
phenyl-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]methanone
CID 84543270

Frequently Asked Questions

What is the IUPAC name of [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone;hydrochloride?
The IUPAC name of [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone;hydrochloride (CID 120657187) is [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone;hydrochloride.
What is the SMILES notation for [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone;hydrochloride?
The canonical SMILES for [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone;hydrochloride is Cl.O=C(c1ccc2c(c1)CCCC2)N1C[C@H]2CNC[C@H]2C1.
What is the InChIKey of [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone;hydrochloride?
The InChIKey is RVTRVFOLJDFONO-FAESNJTISA-N. The full InChI is InChI=1S/C17H22N2O.ClH/c20-17(19-10-15-8-18-9-16(15)11-19)14-6-5-12-3-1-2-4-13(12)7-14;/h5-7,15-16,18H,1-4,8-11H2;1H/t15-,16+;.
What are the key properties of [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone;hydrochloride?
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone;hydrochloride has a molecular weight of 306.84 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone;hydrochloride is sourced from PubChem (CID 120657187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).