1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-cyclopentylpropan-2-ol

C15H27NO — CID 103160158

IUPAC1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-cyclopentylpropan-2-ol
SMILESOC(CC1CCCC1)CN1CC2CCCC2C1
InChIInChI=1S/C15H27NO/c17-15(8-12-4-1-2-5-12)11-16-9-13-6-3-7-14(13)10-16/h12-15,17H,1-11H2
InChIKeyMTTGUCNPUQHXRW-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.66
Rot. Bonds4

About 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-cyclopentylpropan-2-ol

1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-cyclopentylpropan-2-ol (PubChem CID 103160158) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-cyclopentylpropan-2-ol.

Molecular Properties

Compound Name1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-cyclopentylpropan-2-ol
PubChem CID103160158
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-cyclopentylpropan-2-ol
SMILESOC(CC1CCCC1)CN1CC2CCCC2C1
InChIInChI=1S/C15H27NO/c17-15(8-12-4-1-2-5-12)11-16-9-13-6-3-7-14(13)10-16/h12-15,17H,1-11H2
InChIKeyMTTGUCNPUQHXRW-UHFFFAOYSA-N
XLogP2.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-cyclopentylpropan-2-ol?
The IUPAC name of 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-cyclopentylpropan-2-ol (CID 103160158) is 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-cyclopentylpropan-2-ol.
What is the SMILES notation for 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-cyclopentylpropan-2-ol?
The canonical SMILES for 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-cyclopentylpropan-2-ol is OC(CC1CCCC1)CN1CC2CCCC2C1.
What is the InChIKey of 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-cyclopentylpropan-2-ol?
The InChIKey is MTTGUCNPUQHXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c17-15(8-12-4-1-2-5-12)11-16-9-13-6-3-7-14(13)10-16/h12-15,17H,1-11H2.
What are the key properties of 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-cyclopentylpropan-2-ol?
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-cyclopentylpropan-2-ol has a molecular weight of 237.39 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-cyclopentylpropan-2-ol is sourced from PubChem (CID 103160158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).