(6aR)-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-one;hydrochloride

C7H12ClNO — CID 174161312

IUPAC(6aR)-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-one;hydrochloride
SMILESCl.O=C1CC[C@H]2CNCC12
InChIInChI=1S/C7H11NO.ClH/c9-7-2-1-5-3-8-4-6(5)7;/h5-6,8H,1-4H2;1H/t5-,6?;/m0./s1
InChIKeyNCJPVPGXNDVUCM-GNVLWMSISA-N
MW161.63 g/mol
LogP0.61
Rot. Bonds

About (6aR)-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-one;hydrochloride

(6aR)-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-one;hydrochloride (PubChem CID 174161312) has the molecular formula C7H12ClNO and a molecular weight of 161.63 g/mol. Its IUPAC name is (6aR)-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-one;hydrochloride.

Molecular Properties

Compound Name(6aR)-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-one;hydrochloride
PubChem CID174161312
Molecular FormulaC7H12ClNO
Molecular Weight161.63 g/mol
Exact Mass161.06
IUPAC Name(6aR)-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-one;hydrochloride
SMILESCl.O=C1CC[C@H]2CNCC12
InChIInChI=1S/C7H11NO.ClH/c9-7-2-1-5-3-8-4-6(5)7;/h5-6,8H,1-4H2;1H/t5-,6?;/m0./s1
InChIKeyNCJPVPGXNDVUCM-GNVLWMSISA-N
XLogP0.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.63
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (6aR)-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-one;hydrochloride with MolForge

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Related Compounds

(3aS,6aR)-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-one;hydrochloride
CID 154724409
(3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydroisoindol-4-one
CID 55301354
3-cyclopropylpiperidin-4-one
CID 130812685
2,3,4,4a,6,7,8,8a-octahydro-1H-isoquinolin-5-one;hydrochloride
CID 146155403
bicyclo[3.2.0]heptan-2-one
CID 543759
3-(4-methylcyclohexyl)piperidin-4-one
CID 114451713
2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione;hydrochloride
CID 57476085
3-methyl-5-(4-oxocyclohexyl)piperidin-4-one
CID 91529942
1,2,3,4,4a,7a-hexahydrocyclopenta[c]pyridine-5,7-dione
CID 13211069
1,2,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]naphthalen-3-one
CID 58165389
(3aS,5aS,8aS,8bS)-1,2,3a,4,5,5a,7,8,8a,8b-decahydro-as-indacene-3,6-dione
CID 102156488
(3aR,9bS)-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]isoindole-6,7-diol
CID 70453882

Frequently Asked Questions

What is the IUPAC name of (6aR)-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-one;hydrochloride?
The IUPAC name of (6aR)-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-one;hydrochloride (CID 174161312) is (6aR)-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-one;hydrochloride.
What is the SMILES notation for (6aR)-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-one;hydrochloride?
The canonical SMILES for (6aR)-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-one;hydrochloride is Cl.O=C1CC[C@H]2CNCC12.
What is the InChIKey of (6aR)-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-one;hydrochloride?
The InChIKey is NCJPVPGXNDVUCM-GNVLWMSISA-N. The full InChI is InChI=1S/C7H11NO.ClH/c9-7-2-1-5-3-8-4-6(5)7;/h5-6,8H,1-4H2;1H/t5-,6?;/m0./s1.
What are the key properties of (6aR)-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-one;hydrochloride?
(6aR)-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-one;hydrochloride has a molecular weight of 161.63 g/mol, XLogP of 0.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-one;hydrochloride is sourced from PubChem (CID 174161312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).