4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)furo[3,2-c]pyridine

C14H17N3O — CID 121185299

IUPAC4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)furo[3,2-c]pyridine
SMILESCN1CC2CN(c3nccc4occc34)CC2C1
InChIInChI=1S/C14H17N3O/c1-16-6-10-8-17(9-11(10)7-16)14-12-3-5-18-13(12)2-4-15-14/h2-5,10-11H,6-9H2,1H3
InChIKeyBEDWHAKICPSELK-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.83
Rot. Bonds1

About 4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)furo[3,2-c]pyridine

4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)furo[3,2-c]pyridine (PubChem CID 121185299) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)furo[3,2-c]pyridine.

Molecular Properties

Compound Name4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)furo[3,2-c]pyridine
PubChem CID121185299
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)furo[3,2-c]pyridine
SMILESCN1CC2CN(c3nccc4occc34)CC2C1
InChIInChI=1S/C14H17N3O/c1-16-6-10-8-17(9-11(10)7-16)14-12-3-5-18-13(12)2-4-15-14/h2-5,10-11H,6-9H2,1H3
InChIKeyBEDWHAKICPSELK-UHFFFAOYSA-N
XLogP1.83
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)furo[3,2-c]pyridine?
The IUPAC name of 4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)furo[3,2-c]pyridine (CID 121185299) is 4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)furo[3,2-c]pyridine.
What is the SMILES notation for 4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)furo[3,2-c]pyridine?
The canonical SMILES for 4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)furo[3,2-c]pyridine is CN1CC2CN(c3nccc4occc34)CC2C1.
What is the InChIKey of 4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)furo[3,2-c]pyridine?
The InChIKey is BEDWHAKICPSELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-16-6-10-8-17(9-11(10)7-16)14-12-3-5-18-13(12)2-4-15-14/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)furo[3,2-c]pyridine?
4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)furo[3,2-c]pyridine has a molecular weight of 243.31 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)furo[3,2-c]pyridine is sourced from PubChem (CID 121185299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).