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

C11H17ClN2O — CID 83911419

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

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

(6-amino-3-chloro-2-propan-2-yl-4,5-dihydrocyclopenta[c]pyrrol-6-yl)methanol (PubChem CID 83911419) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is (6-amino-3-chloro-2-propan-2-yl-4,5-dihydrocyclopenta[c]pyrrol-6-yl)methanol.

Molecular Properties

Compound Name(6-amino-3-chloro-2-propan-2-yl-4,5-dihydrocyclopenta[c]pyrrol-6-yl)methanol
PubChem CID83911419
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name(6-amino-3-chloro-2-propan-2-yl-4,5-dihydrocyclopenta[c]pyrrol-6-yl)methanol
SMILESCC(C)n1cc2c(c1Cl)CCC2(N)CO
InChIInChI=1S/C11H17ClN2O/c1-7(2)14-5-9-8(10(14)12)3-4-11(9,13)6-15/h5,7,15H,3-4,6,13H2,1-2H3
InChIKeyWKCISFMMSCDFBK-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-amino-3-chloro-2-propan-2-yl-4,5-dihydrocyclopenta[c]pyrrol-6-yl)methanol?
The IUPAC name of (6-amino-3-chloro-2-propan-2-yl-4,5-dihydrocyclopenta[c]pyrrol-6-yl)methanol (CID 83911419) is (6-amino-3-chloro-2-propan-2-yl-4,5-dihydrocyclopenta[c]pyrrol-6-yl)methanol.
What is the SMILES notation for (6-amino-3-chloro-2-propan-2-yl-4,5-dihydrocyclopenta[c]pyrrol-6-yl)methanol?
The canonical SMILES for (6-amino-3-chloro-2-propan-2-yl-4,5-dihydrocyclopenta[c]pyrrol-6-yl)methanol is CC(C)n1cc2c(c1Cl)CCC2(N)CO.
What is the InChIKey of (6-amino-3-chloro-2-propan-2-yl-4,5-dihydrocyclopenta[c]pyrrol-6-yl)methanol?
The InChIKey is WKCISFMMSCDFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-7(2)14-5-9-8(10(14)12)3-4-11(9,13)6-15/h5,7,15H,3-4,6,13H2,1-2H3.
What are the key properties of (6-amino-3-chloro-2-propan-2-yl-4,5-dihydrocyclopenta[c]pyrrol-6-yl)methanol?
(6-amino-3-chloro-2-propan-2-yl-4,5-dihydrocyclopenta[c]pyrrol-6-yl)methanol 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-amino-3-chloro-2-propan-2-yl-4,5-dihydrocyclopenta[c]pyrrol-6-yl)methanol is sourced from PubChem (CID 83911419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).