1-ethylspiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane]

C12H19N3O — CID 138040392

IUPAC1-ethylspiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane]
SMILESCCn1cnc2c1CCNC21CCOCC1
InChIInChI=1S/C12H19N3O/c1-2-15-9-13-11-10(15)3-6-14-12(11)4-7-16-8-5-12/h9,14H,2-8H2,1H3
InChIKeyKFFSJAASDRGCKS-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.05
Rot. Bonds1

About 1-ethylspiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane]

1-ethylspiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane] (PubChem CID 138040392) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-ethylspiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane].

Molecular Properties

Compound Name1-ethylspiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane]
PubChem CID138040392
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-ethylspiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane]
SMILESCCn1cnc2c1CCNC21CCOCC1
InChIInChI=1S/C12H19N3O/c1-2-15-9-13-11-10(15)3-6-14-12(11)4-7-16-8-5-12/h9,14H,2-8H2,1H3
InChIKeyKFFSJAASDRGCKS-UHFFFAOYSA-N
XLogP1.05
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethylspiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane]?
The IUPAC name of 1-ethylspiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane] (CID 138040392) is 1-ethylspiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane].
What is the SMILES notation for 1-ethylspiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane]?
The canonical SMILES for 1-ethylspiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane] is CCn1cnc2c1CCNC21CCOCC1.
What is the InChIKey of 1-ethylspiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane]?
The InChIKey is KFFSJAASDRGCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-15-9-13-11-10(15)3-6-14-12(11)4-7-16-8-5-12/h9,14H,2-8H2,1H3.
What are the key properties of 1-ethylspiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane]?
1-ethylspiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane] has a molecular weight of 221.30 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylspiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane] is sourced from PubChem (CID 138040392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).