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

C9H13BrN2O — CID 83912880

IUPAC(6-amino-3-bromo-2-methyl-4,5-dihydrocyclopenta[c]pyrrol-6-yl)methanol
SMILESCn1cc2c(c1Br)CCC2(N)CO
InChIInChI=1S/C9H13BrN2O/c1-12-4-7-6(8(12)10)2-3-9(7,11)5-13/h4,13H,2-3,5,11H2,1H3
InChIKeyNAWNHPTVRVUPFH-UHFFFAOYSA-N
MW245.12 g/mol
LogP0.88
Rot. Bonds1

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

(6-amino-3-bromo-2-methyl-4,5-dihydrocyclopenta[c]pyrrol-6-yl)methanol (PubChem CID 83912880) has the molecular formula C9H13BrN2O and a molecular weight of 245.12 g/mol. Its IUPAC name is (6-amino-3-bromo-2-methyl-4,5-dihydrocyclopenta[c]pyrrol-6-yl)methanol.

Molecular Properties

Compound Name(6-amino-3-bromo-2-methyl-4,5-dihydrocyclopenta[c]pyrrol-6-yl)methanol
PubChem CID83912880
Molecular FormulaC9H13BrN2O
Molecular Weight245.12 g/mol
Exact Mass244.02
IUPAC Name(6-amino-3-bromo-2-methyl-4,5-dihydrocyclopenta[c]pyrrol-6-yl)methanol
SMILESCn1cc2c(c1Br)CCC2(N)CO
InChIInChI=1S/C9H13BrN2O/c1-12-4-7-6(8(12)10)2-3-9(7,11)5-13/h4,13H,2-3,5,11H2,1H3
InChIKeyNAWNHPTVRVUPFH-UHFFFAOYSA-N
XLogP0.88
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-amino-3-bromo-2-methyl-4,5-dihydrocyclopenta[c]pyrrol-6-yl)methanol?
The IUPAC name of (6-amino-3-bromo-2-methyl-4,5-dihydrocyclopenta[c]pyrrol-6-yl)methanol (CID 83912880) is (6-amino-3-bromo-2-methyl-4,5-dihydrocyclopenta[c]pyrrol-6-yl)methanol.
What is the SMILES notation for (6-amino-3-bromo-2-methyl-4,5-dihydrocyclopenta[c]pyrrol-6-yl)methanol?
The canonical SMILES for (6-amino-3-bromo-2-methyl-4,5-dihydrocyclopenta[c]pyrrol-6-yl)methanol is Cn1cc2c(c1Br)CCC2(N)CO.
What is the InChIKey of (6-amino-3-bromo-2-methyl-4,5-dihydrocyclopenta[c]pyrrol-6-yl)methanol?
The InChIKey is NAWNHPTVRVUPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O/c1-12-4-7-6(8(12)10)2-3-9(7,11)5-13/h4,13H,2-3,5,11H2,1H3.
What are the key properties of (6-amino-3-bromo-2-methyl-4,5-dihydrocyclopenta[c]pyrrol-6-yl)methanol?
(6-amino-3-bromo-2-methyl-4,5-dihydrocyclopenta[c]pyrrol-6-yl)methanol has a molecular weight of 245.12 g/mol, XLogP of 0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-3-bromo-2-methyl-4,5-dihydrocyclopenta[c]pyrrol-6-yl)methanol is sourced from PubChem (CID 83912880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).