6-(2-aminoethyl)-3-chloro-5-methyl-4,5-dihydro-2H-cyclopenta[c]pyrrol-6-ol

C10H15ClN2O — CID 112716679

IUPAC6-(2-aminoethyl)-3-chloro-5-methyl-4,5-dihydro-2H-cyclopenta[c]pyrrol-6-ol
SMILESCC1Cc2c(c[nH]c2Cl)C1(O)CCN
InChIInChI=1S/C10H15ClN2O/c1-6-4-7-8(5-13-9(7)11)10(6,14)2-3-12/h5-6,13-14H,2-4,12H2,1H3
InChIKeyLNKYFQBBNXCQLH-UHFFFAOYSA-N
MW214.70 g/mol
LogP1.40
Rot. Bonds2

About 6-(2-aminoethyl)-3-chloro-5-methyl-4,5-dihydro-2H-cyclopenta[c]pyrrol-6-ol

6-(2-aminoethyl)-3-chloro-5-methyl-4,5-dihydro-2H-cyclopenta[c]pyrrol-6-ol (PubChem CID 112716679) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 6-(2-aminoethyl)-3-chloro-5-methyl-4,5-dihydro-2H-cyclopenta[c]pyrrol-6-ol.

Molecular Properties

Compound Name6-(2-aminoethyl)-3-chloro-5-methyl-4,5-dihydro-2H-cyclopenta[c]pyrrol-6-ol
PubChem CID112716679
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name6-(2-aminoethyl)-3-chloro-5-methyl-4,5-dihydro-2H-cyclopenta[c]pyrrol-6-ol
SMILESCC1Cc2c(c[nH]c2Cl)C1(O)CCN
InChIInChI=1S/C10H15ClN2O/c1-6-4-7-8(5-13-9(7)11)10(6,14)2-3-12/h5-6,13-14H,2-4,12H2,1H3
InChIKeyLNKYFQBBNXCQLH-UHFFFAOYSA-N
XLogP1.40
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethyl)-3-chloro-5-methyl-4,5-dihydro-2H-cyclopenta[c]pyrrol-6-ol?
The IUPAC name of 6-(2-aminoethyl)-3-chloro-5-methyl-4,5-dihydro-2H-cyclopenta[c]pyrrol-6-ol (CID 112716679) is 6-(2-aminoethyl)-3-chloro-5-methyl-4,5-dihydro-2H-cyclopenta[c]pyrrol-6-ol.
What is the SMILES notation for 6-(2-aminoethyl)-3-chloro-5-methyl-4,5-dihydro-2H-cyclopenta[c]pyrrol-6-ol?
The canonical SMILES for 6-(2-aminoethyl)-3-chloro-5-methyl-4,5-dihydro-2H-cyclopenta[c]pyrrol-6-ol is CC1Cc2c(c[nH]c2Cl)C1(O)CCN.
What is the InChIKey of 6-(2-aminoethyl)-3-chloro-5-methyl-4,5-dihydro-2H-cyclopenta[c]pyrrol-6-ol?
The InChIKey is LNKYFQBBNXCQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-6-4-7-8(5-13-9(7)11)10(6,14)2-3-12/h5-6,13-14H,2-4,12H2,1H3.
What are the key properties of 6-(2-aminoethyl)-3-chloro-5-methyl-4,5-dihydro-2H-cyclopenta[c]pyrrol-6-ol?
6-(2-aminoethyl)-3-chloro-5-methyl-4,5-dihydro-2H-cyclopenta[c]pyrrol-6-ol has a molecular weight of 214.70 g/mol, XLogP of 1.40, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethyl)-3-chloro-5-methyl-4,5-dihydro-2H-cyclopenta[c]pyrrol-6-ol is sourced from PubChem (CID 112716679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).