(2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl)methanol

C9H17NO — CID 84650229

IUPAC(2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl)methanol
SMILESCN1CC2CCCC2(CO)C1
InChIInChI=1S/C9H17NO/c1-10-5-8-3-2-4-9(8,6-10)7-11/h8,11H,2-7H2,1H3
InChIKeyXNGAPNSGPOPHKZ-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.71
Rot. Bonds1

About (2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl)methanol

(2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl)methanol (PubChem CID 84650229) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl)methanol.

Molecular Properties

Compound Name(2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl)methanol
PubChem CID84650229
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl)methanol
SMILESCN1CC2CCCC2(CO)C1
InChIInChI=1S/C9H17NO/c1-10-5-8-3-2-4-9(8,6-10)7-11/h8,11H,2-7H2,1H3
InChIKeyXNGAPNSGPOPHKZ-UHFFFAOYSA-N
XLogP0.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl)methanol?
The IUPAC name of (2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl)methanol (CID 84650229) is (2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl)methanol.
What is the SMILES notation for (2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl)methanol?
The canonical SMILES for (2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl)methanol is CN1CC2CCCC2(CO)C1.
What is the InChIKey of (2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl)methanol?
The InChIKey is XNGAPNSGPOPHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-10-5-8-3-2-4-9(8,6-10)7-11/h8,11H,2-7H2,1H3.
What are the key properties of (2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl)methanol?
(2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl)methanol has a molecular weight of 155.24 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl)methanol is sourced from PubChem (CID 84650229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).