6-(aminomethyl)-3-chloro-2-propan-2-yl-4,5-dihydrocyclopenta[c]pyrrol-6-ol

C11H17ClN2O — CID 83911417

IUPAC6-(aminomethyl)-3-chloro-2-propan-2-yl-4,5-dihydrocyclopenta[c]pyrrol-6-ol
SMILESCC(C)n1cc2c(c1Cl)CCC2(O)CN
InChIInChI=1S/C11H17ClN2O/c1-7(2)14-5-9-8(10(14)12)3-4-11(9,15)6-13/h5,7,15H,3-4,6,13H2,1-2H3
InChIKeyLWYKCTMGYVHOMI-UHFFFAOYSA-N
MW228.72 g/mol
LogP1.81
Rot. Bonds2

About 6-(aminomethyl)-3-chloro-2-propan-2-yl-4,5-dihydrocyclopenta[c]pyrrol-6-ol

6-(aminomethyl)-3-chloro-2-propan-2-yl-4,5-dihydrocyclopenta[c]pyrrol-6-ol (PubChem CID 83911417) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 6-(aminomethyl)-3-chloro-2-propan-2-yl-4,5-dihydrocyclopenta[c]pyrrol-6-ol.

Molecular Properties

Compound Name6-(aminomethyl)-3-chloro-2-propan-2-yl-4,5-dihydrocyclopenta[c]pyrrol-6-ol
PubChem CID83911417
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name6-(aminomethyl)-3-chloro-2-propan-2-yl-4,5-dihydrocyclopenta[c]pyrrol-6-ol
SMILESCC(C)n1cc2c(c1Cl)CCC2(O)CN
InChIInChI=1S/C11H17ClN2O/c1-7(2)14-5-9-8(10(14)12)3-4-11(9,15)6-13/h5,7,15H,3-4,6,13H2,1-2H3
InChIKeyLWYKCTMGYVHOMI-UHFFFAOYSA-N
XLogP1.81
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-3-chloro-2-propan-2-yl-4,5-dihydrocyclopenta[c]pyrrol-6-ol?
The IUPAC name of 6-(aminomethyl)-3-chloro-2-propan-2-yl-4,5-dihydrocyclopenta[c]pyrrol-6-ol (CID 83911417) is 6-(aminomethyl)-3-chloro-2-propan-2-yl-4,5-dihydrocyclopenta[c]pyrrol-6-ol.
What is the SMILES notation for 6-(aminomethyl)-3-chloro-2-propan-2-yl-4,5-dihydrocyclopenta[c]pyrrol-6-ol?
The canonical SMILES for 6-(aminomethyl)-3-chloro-2-propan-2-yl-4,5-dihydrocyclopenta[c]pyrrol-6-ol is CC(C)n1cc2c(c1Cl)CCC2(O)CN.
What is the InChIKey of 6-(aminomethyl)-3-chloro-2-propan-2-yl-4,5-dihydrocyclopenta[c]pyrrol-6-ol?
The InChIKey is LWYKCTMGYVHOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-7(2)14-5-9-8(10(14)12)3-4-11(9,15)6-13/h5,7,15H,3-4,6,13H2,1-2H3.
What are the key properties of 6-(aminomethyl)-3-chloro-2-propan-2-yl-4,5-dihydrocyclopenta[c]pyrrol-6-ol?
6-(aminomethyl)-3-chloro-2-propan-2-yl-4,5-dihydrocyclopenta[c]pyrrol-6-ol has a molecular weight of 228.72 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-3-chloro-2-propan-2-yl-4,5-dihydrocyclopenta[c]pyrrol-6-ol is sourced from PubChem (CID 83911417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).