4-ethyl-5,6,6a,7,8,9-hexahydropyrrolo[1,2-a][1,8]naphthyridine

C13H18N2 — CID 166881378

IUPAC4-ethyl-5,6,6a,7,8,9-hexahydropyrrolo[1,2-a][1,8]naphthyridine
SMILESCCc1ccnc2c1CCC1CCCN21
InChIInChI=1S/C13H18N2/c1-2-10-7-8-14-13-12(10)6-5-11-4-3-9-15(11)13/h7-8,11H,2-6,9H2,1H3
InChIKeyOUHNUWIJAABTTG-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.56
Rot. Bonds1

About 4-ethyl-5,6,6a,7,8,9-hexahydropyrrolo[1,2-a][1,8]naphthyridine

4-ethyl-5,6,6a,7,8,9-hexahydropyrrolo[1,2-a][1,8]naphthyridine (PubChem CID 166881378) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 4-ethyl-5,6,6a,7,8,9-hexahydropyrrolo[1,2-a][1,8]naphthyridine.

Molecular Properties

Compound Name4-ethyl-5,6,6a,7,8,9-hexahydropyrrolo[1,2-a][1,8]naphthyridine
PubChem CID166881378
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name4-ethyl-5,6,6a,7,8,9-hexahydropyrrolo[1,2-a][1,8]naphthyridine
SMILESCCc1ccnc2c1CCC1CCCN21
InChIInChI=1S/C13H18N2/c1-2-10-7-8-14-13-12(10)6-5-11-4-3-9-15(11)13/h7-8,11H,2-6,9H2,1H3
InChIKeyOUHNUWIJAABTTG-UHFFFAOYSA-N
XLogP2.56
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5,6,6a,7,8,9-hexahydropyrrolo[1,2-a][1,8]naphthyridine?
The IUPAC name of 4-ethyl-5,6,6a,7,8,9-hexahydropyrrolo[1,2-a][1,8]naphthyridine (CID 166881378) is 4-ethyl-5,6,6a,7,8,9-hexahydropyrrolo[1,2-a][1,8]naphthyridine.
What is the SMILES notation for 4-ethyl-5,6,6a,7,8,9-hexahydropyrrolo[1,2-a][1,8]naphthyridine?
The canonical SMILES for 4-ethyl-5,6,6a,7,8,9-hexahydropyrrolo[1,2-a][1,8]naphthyridine is CCc1ccnc2c1CCC1CCCN21.
What is the InChIKey of 4-ethyl-5,6,6a,7,8,9-hexahydropyrrolo[1,2-a][1,8]naphthyridine?
The InChIKey is OUHNUWIJAABTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-2-10-7-8-14-13-12(10)6-5-11-4-3-9-15(11)13/h7-8,11H,2-6,9H2,1H3.
What are the key properties of 4-ethyl-5,6,6a,7,8,9-hexahydropyrrolo[1,2-a][1,8]naphthyridine?
4-ethyl-5,6,6a,7,8,9-hexahydropyrrolo[1,2-a][1,8]naphthyridine has a molecular weight of 202.30 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5,6,6a,7,8,9-hexahydropyrrolo[1,2-a][1,8]naphthyridine is sourced from PubChem (CID 166881378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).