1-[(3aR,6aR)-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]ethanone

C10H17NO2 — CID 18644989

IUPAC1-[(3aR,6aR)-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]ethanone
SMILESCOC1C[C@H]2CCC[C@H]2N1C(C)=O
InChIInChI=1S/C10H17NO2/c1-7(12)11-9-5-3-4-8(9)6-10(11)13-2/h8-10H,3-6H2,1-2H3/t8-,9-,10?/m1/s1
InChIKeyQSNMQOFZEPCPOS-MGRQHWMJSA-N
MW183.25 g/mol
LogP1.38
Rot. Bonds1

About 1-[(3aR,6aR)-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]ethanone

1-[(3aR,6aR)-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]ethanone (PubChem CID 18644989) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-[(3aR,6aR)-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3aR,6aR)-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]ethanone
PubChem CID18644989
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-[(3aR,6aR)-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]ethanone
SMILESCOC1C[C@H]2CCC[C@H]2N1C(C)=O
InChIInChI=1S/C10H17NO2/c1-7(12)11-9-5-3-4-8(9)6-10(11)13-2/h8-10H,3-6H2,1-2H3/t8-,9-,10?/m1/s1
InChIKeyQSNMQOFZEPCPOS-MGRQHWMJSA-N
XLogP1.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3aR,6aR)-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]ethanone?
The IUPAC name of 1-[(3aR,6aR)-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]ethanone (CID 18644989) is 1-[(3aR,6aR)-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]ethanone.
What is the SMILES notation for 1-[(3aR,6aR)-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]ethanone?
The canonical SMILES for 1-[(3aR,6aR)-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]ethanone is COC1C[C@H]2CCC[C@H]2N1C(C)=O.
What is the InChIKey of 1-[(3aR,6aR)-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]ethanone?
The InChIKey is QSNMQOFZEPCPOS-MGRQHWMJSA-N. The full InChI is InChI=1S/C10H17NO2/c1-7(12)11-9-5-3-4-8(9)6-10(11)13-2/h8-10H,3-6H2,1-2H3/t8-,9-,10?/m1/s1.
What are the key properties of 1-[(3aR,6aR)-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]ethanone?
1-[(3aR,6aR)-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]ethanone has a molecular weight of 183.25 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3aR,6aR)-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]ethanone is sourced from PubChem (CID 18644989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).