(4S)-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,3'-oxolane]

C9H13N3O — CID 125041260

IUPAC(4S)-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,3'-oxolane]
SMILESc1nc2c([nH]1)CCN[C@@]21CCOC1
InChIInChI=1S/C9H13N3O/c1-3-12-9(2-4-13-5-9)8-7(1)10-6-11-8/h6,12H,1-5H2,(H,10,11)/t9-/m1/s1
InChIKeyCLHVAEYXPOMOSH-SECBINFHSA-N
MW179.22 g/mol
LogP0.17
Rot. Bonds

About (4S)-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,3'-oxolane]

(4S)-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,3'-oxolane] (PubChem CID 125041260) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is (4S)-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,3'-oxolane].

Molecular Properties

Compound Name(4S)-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,3'-oxolane]
PubChem CID125041260
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name(4S)-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,3'-oxolane]
SMILESc1nc2c([nH]1)CCN[C@@]21CCOC1
InChIInChI=1S/C9H13N3O/c1-3-12-9(2-4-13-5-9)8-7(1)10-6-11-8/h6,12H,1-5H2,(H,10,11)/t9-/m1/s1
InChIKeyCLHVAEYXPOMOSH-SECBINFHSA-N
XLogP0.17
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,3'-oxolane]?
The IUPAC name of (4S)-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,3'-oxolane] (CID 125041260) is (4S)-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,3'-oxolane].
What is the SMILES notation for (4S)-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,3'-oxolane]?
The canonical SMILES for (4S)-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,3'-oxolane] is c1nc2c([nH]1)CCN[C@@]21CCOC1.
What is the InChIKey of (4S)-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,3'-oxolane]?
The InChIKey is CLHVAEYXPOMOSH-SECBINFHSA-N. The full InChI is InChI=1S/C9H13N3O/c1-3-12-9(2-4-13-5-9)8-7(1)10-6-11-8/h6,12H,1-5H2,(H,10,11)/t9-/m1/s1.
What are the key properties of (4S)-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,3'-oxolane]?
(4S)-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,3'-oxolane] has a molecular weight of 179.22 g/mol, XLogP of 0.17, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,3'-oxolane] is sourced from PubChem (CID 125041260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).