2-methylidene-1,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-c]pyridine

C7H13N3 — CID 170032637

IUPAC2-methylidene-1,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-c]pyridine
SMILESC=C1NC2CCNCC2N1
InChIInChI=1S/C7H13N3/c1-5-9-6-2-3-8-4-7(6)10-5/h6-10H,1-4H2
InChIKeyJRRAVSUPZAJQDZ-UHFFFAOYSA-N
MW139.20 g/mol
LogP-0.62
Rot. Bonds

About 2-methylidene-1,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-c]pyridine

2-methylidene-1,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-c]pyridine (PubChem CID 170032637) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-methylidene-1,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-methylidene-1,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-c]pyridine
PubChem CID170032637
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name2-methylidene-1,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-c]pyridine
SMILESC=C1NC2CCNCC2N1
InChIInChI=1S/C7H13N3/c1-5-9-6-2-3-8-4-7(6)10-5/h6-10H,1-4H2
InChIKeyJRRAVSUPZAJQDZ-UHFFFAOYSA-N
XLogP-0.62
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-1,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-c]pyridine?
The IUPAC name of 2-methylidene-1,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-c]pyridine (CID 170032637) is 2-methylidene-1,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 2-methylidene-1,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 2-methylidene-1,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-c]pyridine is C=C1NC2CCNCC2N1.
What is the InChIKey of 2-methylidene-1,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-c]pyridine?
The InChIKey is JRRAVSUPZAJQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-5-9-6-2-3-8-4-7(6)10-5/h6-10H,1-4H2.
What are the key properties of 2-methylidene-1,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-c]pyridine?
2-methylidene-1,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-c]pyridine has a molecular weight of 139.20 g/mol, XLogP of -0.62, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-1,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 170032637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).