1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone

C13H22N2O2 — CID 102893620

IUPAC1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESO=C(C1NCC2CCCC21)N1CCC(CO)C1
InChIInChI=1S/C13H22N2O2/c16-8-9-4-5-15(7-9)13(17)12-11-3-1-2-10(11)6-14-12/h9-12,14,16H,1-8H2
InChIKeyMGYNLRAKLXEGQT-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.22
Rot. Bonds2

About 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone

1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 102893620) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID102893620
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESO=C(C1NCC2CCCC21)N1CCC(CO)C1
InChIInChI=1S/C13H22N2O2/c16-8-9-4-5-15(7-9)13(17)12-11-3-1-2-10(11)6-14-12/h9-12,14,16H,1-8H2
InChIKeyMGYNLRAKLXEGQT-UHFFFAOYSA-N
XLogP0.22
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 107220421
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-(4-cyclopropylpiperazin-1-yl)methanone
CID 102891939
N-[1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)piperidin-4-yl]acetamide
CID 102893655
2-[4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)morpholin-2-yl]acetic acid
CID 102893299
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102893952
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-(3-propoxypiperidin-1-yl)methanone
CID 102892277
(2-aminocyclopentyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112624969
[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 129393876
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 106313762
1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 102893046
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 129394437
(2-aminocycloheptyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112625103

Frequently Asked Questions

What is the IUPAC name of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 102893620) is 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone is O=C(C1NCC2CCCC21)N1CCC(CO)C1.
What is the InChIKey of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is MGYNLRAKLXEGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c16-8-9-4-5-15(7-9)13(17)12-11-3-1-2-10(11)6-14-12/h9-12,14,16H,1-8H2.
What are the key properties of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 238.33 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 102893620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).