2-(6,7-dihydrocyclopenta[c]pyran-5-yl)ethanamine

C10H13NO — CID 90073157

IUPAC2-(6,7-dihydrocyclopenta[c]pyran-5-yl)ethanamine
SMILESNCCC1=C2C=COC=C2CC1
InChIInChI=1S/C10H13NO/c11-5-3-8-1-2-9-7-12-6-4-10(8)9/h4,6-7H,1-3,5,11H2
InChIKeyKUZQQPSQNXEUDP-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.85
Rot. Bonds2

About 2-(6,7-dihydrocyclopenta[c]pyran-5-yl)ethanamine

2-(6,7-dihydrocyclopenta[c]pyran-5-yl)ethanamine (PubChem CID 90073157) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-(6,7-dihydrocyclopenta[c]pyran-5-yl)ethanamine.

Molecular Properties

Compound Name2-(6,7-dihydrocyclopenta[c]pyran-5-yl)ethanamine
PubChem CID90073157
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name2-(6,7-dihydrocyclopenta[c]pyran-5-yl)ethanamine
SMILESNCCC1=C2C=COC=C2CC1
InChIInChI=1S/C10H13NO/c11-5-3-8-1-2-9-7-12-6-4-10(8)9/h4,6-7H,1-3,5,11H2
InChIKeyKUZQQPSQNXEUDP-UHFFFAOYSA-N
XLogP1.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydrocyclopenta[c]pyran-5-yl)ethanamine?
The IUPAC name of 2-(6,7-dihydrocyclopenta[c]pyran-5-yl)ethanamine (CID 90073157) is 2-(6,7-dihydrocyclopenta[c]pyran-5-yl)ethanamine.
What is the SMILES notation for 2-(6,7-dihydrocyclopenta[c]pyran-5-yl)ethanamine?
The canonical SMILES for 2-(6,7-dihydrocyclopenta[c]pyran-5-yl)ethanamine is NCCC1=C2C=COC=C2CC1.
What is the InChIKey of 2-(6,7-dihydrocyclopenta[c]pyran-5-yl)ethanamine?
The InChIKey is KUZQQPSQNXEUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c11-5-3-8-1-2-9-7-12-6-4-10(8)9/h4,6-7H,1-3,5,11H2.
What are the key properties of 2-(6,7-dihydrocyclopenta[c]pyran-5-yl)ethanamine?
2-(6,7-dihydrocyclopenta[c]pyran-5-yl)ethanamine has a molecular weight of 163.22 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydrocyclopenta[c]pyran-5-yl)ethanamine is sourced from PubChem (CID 90073157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).