ethane;2-ethyl-2-[(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]pentanenitrile

C17H33N3 — CID 144962793

IUPACethane;2-ethyl-2-[(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]pentanenitrile
SMILESCC.CCCC(C#N)(CC)CN1CC2CN(C)CC2C1
InChIInChI=1S/C15H27N3.C2H6/c1-4-6-15(5-2,11-16)12-18-9-13-7-17(3)8-14(13)10-18;1-2/h13-14H,4-10,12H2,1-3H3;1-2H3
InChIKeyNULMYOGVZFTRSJ-UHFFFAOYSA-N
MW279.47 g/mol
LogP3.23
Rot. Bonds5

About ethane;2-ethyl-2-[(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]pentanenitrile

ethane;2-ethyl-2-[(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]pentanenitrile (PubChem CID 144962793) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is ethane;2-ethyl-2-[(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]pentanenitrile.

Molecular Properties

Compound Nameethane;2-ethyl-2-[(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]pentanenitrile
PubChem CID144962793
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Nameethane;2-ethyl-2-[(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]pentanenitrile
SMILESCC.CCCC(C#N)(CC)CN1CC2CN(C)CC2C1
InChIInChI=1S/C15H27N3.C2H6/c1-4-6-15(5-2,11-16)12-18-9-13-7-17(3)8-14(13)10-18;1-2/h13-14H,4-10,12H2,1-3H3;1-2H3
InChIKeyNULMYOGVZFTRSJ-UHFFFAOYSA-N
XLogP3.23
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;2-ethyl-2-[(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]pentanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-2-[(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]pentanenitrile?
The IUPAC name of ethane;2-ethyl-2-[(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]pentanenitrile (CID 144962793) is ethane;2-ethyl-2-[(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]pentanenitrile.
What is the SMILES notation for ethane;2-ethyl-2-[(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]pentanenitrile?
The canonical SMILES for ethane;2-ethyl-2-[(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]pentanenitrile is CC.CCCC(C#N)(CC)CN1CC2CN(C)CC2C1.
What is the InChIKey of ethane;2-ethyl-2-[(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]pentanenitrile?
The InChIKey is NULMYOGVZFTRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3.C2H6/c1-4-6-15(5-2,11-16)12-18-9-13-7-17(3)8-14(13)10-18;1-2/h13-14H,4-10,12H2,1-3H3;1-2H3.
What are the key properties of ethane;2-ethyl-2-[(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]pentanenitrile?
ethane;2-ethyl-2-[(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]pentanenitrile has a molecular weight of 279.47 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-2-[(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]pentanenitrile is sourced from PubChem (CID 144962793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).