3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl(quinoxalin-6-yl)methanone

C16H17N3O — CID 121184096

IUPAC3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl(quinoxalin-6-yl)methanone
SMILESO=C(c1ccc2nccnc2c1)N1CC2CCCC2C1
InChIInChI=1S/C16H17N3O/c20-16(19-9-12-2-1-3-13(12)10-19)11-4-5-14-15(8-11)18-7-6-17-14/h4-8,12-13H,1-3,9-10H2
InChIKeyAQYTZLYOZRHKGD-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.50
Rot. Bonds1

About 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl(quinoxalin-6-yl)methanone

3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl(quinoxalin-6-yl)methanone (PubChem CID 121184096) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl(quinoxalin-6-yl)methanone.

Molecular Properties

Compound Name3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl(quinoxalin-6-yl)methanone
PubChem CID121184096
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl(quinoxalin-6-yl)methanone
SMILESO=C(c1ccc2nccnc2c1)N1CC2CCCC2C1
InChIInChI=1S/C16H17N3O/c20-16(19-9-12-2-1-3-13(12)10-19)11-4-5-14-15(8-11)18-7-6-17-14/h4-8,12-13H,1-3,9-10H2
InChIKeyAQYTZLYOZRHKGD-UHFFFAOYSA-N
XLogP2.50
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl(quinoxalin-6-yl)methanone with MolForge

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Related Compounds

(3-aminoazetidin-1-yl)-quinoxalin-6-ylmethanone
CID 63754364
(3-chloropiperidin-1-yl)-quinoxalin-6-ylmethanone
CID 55185515
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl(1,3-benzothiazol-6-yl)methanone
CID 121184075
(3-bromopyrrolidin-1-yl)-quinoxalin-6-ylmethanone
CID 80677717
[3-(fluoromethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
CID 163348189
[3-(aminomethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
CID 62875893
[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-phenylmethanone
CID 15855718
(1S,5R)-7-(quinoxaline-6-carbonyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 155497593
3-[(3S)-1-(quinoxaline-6-carbonyl)piperidin-3-yl]benzoic acid
CID 97209819
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
CID 121197527
[(3R)-3-methylpiperazin-1-yl]-quinoxalin-6-ylmethanone
CID 81426962
(3-ethoxypiperidin-1-yl)-quinoxalin-6-ylmethanone
CID 16734283

Frequently Asked Questions

What is the IUPAC name of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl(quinoxalin-6-yl)methanone?
The IUPAC name of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl(quinoxalin-6-yl)methanone (CID 121184096) is 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl(quinoxalin-6-yl)methanone.
What is the SMILES notation for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl(quinoxalin-6-yl)methanone?
The canonical SMILES for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl(quinoxalin-6-yl)methanone is O=C(c1ccc2nccnc2c1)N1CC2CCCC2C1.
What is the InChIKey of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl(quinoxalin-6-yl)methanone?
The InChIKey is AQYTZLYOZRHKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c20-16(19-9-12-2-1-3-13(12)10-19)11-4-5-14-15(8-11)18-7-6-17-14/h4-8,12-13H,1-3,9-10H2.
What are the key properties of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl(quinoxalin-6-yl)methanone?
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl(quinoxalin-6-yl)methanone has a molecular weight of 267.33 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl(quinoxalin-6-yl)methanone is sourced from PubChem (CID 121184096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).