(5-bromo-2,3-dihydrocyclopenta[b]pyran-2-yl)methanamine

C9H10BrNO — CID 170992555

IUPAC(5-bromo-2,3-dihydrocyclopenta[b]pyran-2-yl)methanamine
SMILESNCC1CC=C2C(Br)=CC=C2O1
InChIInChI=1S/C9H10BrNO/c10-8-3-4-9-7(8)2-1-6(5-11)12-9/h2-4,6H,1,5,11H2
InChIKeyRZLMCJMIWJZAHK-UHFFFAOYSA-N
MW228.09 g/mol
LogP1.84
Rot. Bonds1

About (5-bromo-2,3-dihydrocyclopenta[b]pyran-2-yl)methanamine

(5-bromo-2,3-dihydrocyclopenta[b]pyran-2-yl)methanamine (PubChem CID 170992555) has the molecular formula C9H10BrNO and a molecular weight of 228.09 g/mol. Its IUPAC name is (5-bromo-2,3-dihydrocyclopenta[b]pyran-2-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-2,3-dihydrocyclopenta[b]pyran-2-yl)methanamine
PubChem CID170992555
Molecular FormulaC9H10BrNO
Molecular Weight228.09 g/mol
Exact Mass226.99
IUPAC Name(5-bromo-2,3-dihydrocyclopenta[b]pyran-2-yl)methanamine
SMILESNCC1CC=C2C(Br)=CC=C2O1
InChIInChI=1S/C9H10BrNO/c10-8-3-4-9-7(8)2-1-6(5-11)12-9/h2-4,6H,1,5,11H2
InChIKeyRZLMCJMIWJZAHK-UHFFFAOYSA-N
XLogP1.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2,3-dihydrocyclopenta[b]pyran-2-yl)methanamine?
The IUPAC name of (5-bromo-2,3-dihydrocyclopenta[b]pyran-2-yl)methanamine (CID 170992555) is (5-bromo-2,3-dihydrocyclopenta[b]pyran-2-yl)methanamine.
What is the SMILES notation for (5-bromo-2,3-dihydrocyclopenta[b]pyran-2-yl)methanamine?
The canonical SMILES for (5-bromo-2,3-dihydrocyclopenta[b]pyran-2-yl)methanamine is NCC1CC=C2C(Br)=CC=C2O1.
What is the InChIKey of (5-bromo-2,3-dihydrocyclopenta[b]pyran-2-yl)methanamine?
The InChIKey is RZLMCJMIWJZAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO/c10-8-3-4-9-7(8)2-1-6(5-11)12-9/h2-4,6H,1,5,11H2.
What are the key properties of (5-bromo-2,3-dihydrocyclopenta[b]pyran-2-yl)methanamine?
(5-bromo-2,3-dihydrocyclopenta[b]pyran-2-yl)methanamine has a molecular weight of 228.09 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2,3-dihydrocyclopenta[b]pyran-2-yl)methanamine is sourced from PubChem (CID 170992555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).