ethane;6-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine

C11H17NO — CID 144996832

IUPACethane;6-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine
SMILESCC.Cc1cnc2c(c1)CCCO2
InChIInChI=1S/C9H11NO.C2H6/c1-7-5-8-3-2-4-11-9(8)10-6-7;1-2/h5-6H,2-4H2,1H3;1-2H3
InChIKeyLEDUJWHKWRIPNY-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.74
Rot. Bonds

About ethane;6-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine

ethane;6-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine (PubChem CID 144996832) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is ethane;6-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine.

Molecular Properties

Compound Nameethane;6-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine
PubChem CID144996832
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Nameethane;6-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine
SMILESCC.Cc1cnc2c(c1)CCCO2
InChIInChI=1S/C9H11NO.C2H6/c1-7-5-8-3-2-4-11-9(8)10-6-7;1-2/h5-6H,2-4H2,1H3;1-2H3
InChIKeyLEDUJWHKWRIPNY-UHFFFAOYSA-N
XLogP2.74
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine?
The IUPAC name of ethane;6-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine (CID 144996832) is ethane;6-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine.
What is the SMILES notation for ethane;6-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine?
The canonical SMILES for ethane;6-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine is CC.Cc1cnc2c(c1)CCCO2.
What is the InChIKey of ethane;6-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine?
The InChIKey is LEDUJWHKWRIPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.C2H6/c1-7-5-8-3-2-4-11-9(8)10-6-7;1-2/h5-6H,2-4H2,1H3;1-2H3.
What are the key properties of ethane;6-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine?
ethane;6-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine has a molecular weight of 179.26 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine is sourced from PubChem (CID 144996832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).