1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-4-methyl-2,3-dihydroquinoxaline

C17H25N3 — CID 102894569

IUPAC1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-4-methyl-2,3-dihydroquinoxaline
SMILESCN1CCN(CC2NCC3CCCC32)c2ccccc21
InChIInChI=1S/C17H25N3/c1-19-9-10-20(17-8-3-2-7-16(17)19)12-15-14-6-4-5-13(14)11-18-15/h2-3,7-8,13-15,18H,4-6,9-12H2,1H3
InChIKeyDVTICPIAAYGQPA-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.33
Rot. Bonds2

About 1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-4-methyl-2,3-dihydroquinoxaline

1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-4-methyl-2,3-dihydroquinoxaline (PubChem CID 102894569) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-4-methyl-2,3-dihydroquinoxaline.

Molecular Properties

Compound Name1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-4-methyl-2,3-dihydroquinoxaline
PubChem CID102894569
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-4-methyl-2,3-dihydroquinoxaline
SMILESCN1CCN(CC2NCC3CCCC32)c2ccccc21
InChIInChI=1S/C17H25N3/c1-19-9-10-20(17-8-3-2-7-16(17)19)12-15-14-6-4-5-13(14)11-18-15/h2-3,7-8,13-15,18H,4-6,9-12H2,1H3
InChIKeyDVTICPIAAYGQPA-UHFFFAOYSA-N
XLogP2.33
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-4-methyl-2,3-dihydroquinoxaline with MolForge

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Related Compounds

2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]cyclopentan-1-one
CID 63778059
1-(2,3-dihydro-1H-indol-3-ylmethyl)-4-methyl-2,3-dihydroquinoxaline
CID 80567239
2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]cycloheptan-1-one
CID 63777874
2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]morpholine
CID 63778262
3-[(3-propan-2-ylpyrrolidin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 102894714
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanamine
CID 28806962
2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 102894300
3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 103534890
2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-naphthalen-1-ylethanone
CID 102893582
N-ethyl-2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]cyclopentan-1-amine
CID 79577784
3-[(3,3-diethylpyrrolidin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 102894651
1-(3-bromopropyl)-4-methyl-2,3-dihydroquinoxaline
CID 63777504

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-4-methyl-2,3-dihydroquinoxaline?
The IUPAC name of 1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-4-methyl-2,3-dihydroquinoxaline (CID 102894569) is 1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-4-methyl-2,3-dihydroquinoxaline.
What is the SMILES notation for 1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-4-methyl-2,3-dihydroquinoxaline?
The canonical SMILES for 1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-4-methyl-2,3-dihydroquinoxaline is CN1CCN(CC2NCC3CCCC32)c2ccccc21.
What is the InChIKey of 1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-4-methyl-2,3-dihydroquinoxaline?
The InChIKey is DVTICPIAAYGQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-19-9-10-20(17-8-3-2-7-16(17)19)12-15-14-6-4-5-13(14)11-18-15/h2-3,7-8,13-15,18H,4-6,9-12H2,1H3.
What are the key properties of 1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-4-methyl-2,3-dihydroquinoxaline?
1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-4-methyl-2,3-dihydroquinoxaline has a molecular weight of 271.41 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-4-methyl-2,3-dihydroquinoxaline is sourced from PubChem (CID 102894569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).