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

C12H20N2O2 — CID 107220421

IUPAC1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-[3-(hydroxymethyl)azetidin-1-yl]methanone
SMILESO=C(C1NCC2CCCC21)N1CC(CO)C1
InChIInChI=1S/C12H20N2O2/c15-7-8-5-14(6-8)12(16)11-10-3-1-2-9(10)4-13-11/h8-11,13,15H,1-7H2
InChIKeyITVQPGRQZWFDLK-UHFFFAOYSA-N
MW224.30 g/mol
LogP-0.17
Rot. Bonds2

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

1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-[3-(hydroxymethyl)azetidin-1-yl]methanone (PubChem CID 107220421) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-[3-(hydroxymethyl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-[3-(hydroxymethyl)azetidin-1-yl]methanone
PubChem CID107220421
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-[3-(hydroxymethyl)azetidin-1-yl]methanone
SMILESO=C(C1NCC2CCCC21)N1CC(CO)C1
InChIInChI=1S/C12H20N2O2/c15-7-8-5-14(6-8)12(16)11-10-3-1-2-9(10)4-13-11/h8-11,13,15H,1-7H2
InChIKeyITVQPGRQZWFDLK-UHFFFAOYSA-N
XLogP-0.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 5-0.17
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)pyrrolidin-1-yl]methanone
CID 102893620
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-(4-cyclopropylpiperazin-1-yl)methanone
CID 102891939
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102893952
2-[4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)morpholin-2-yl]acetic acid
CID 102893299
N-[1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)piperidin-4-yl]acetamide
CID 102893655
(3R,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxylic acid
CID 13232017
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-(3-propoxypiperidin-1-yl)methanone
CID 102892277
2-[4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)piperazin-1-yl]-N-methylacetamide
CID 102891595
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
N-(1,3-dihydroxypropan-2-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102893232
(2S)-1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 102892250

Frequently Asked Questions

What is the IUPAC name of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-[3-(hydroxymethyl)azetidin-1-yl]methanone?
The IUPAC name of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-[3-(hydroxymethyl)azetidin-1-yl]methanone (CID 107220421) is 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-[3-(hydroxymethyl)azetidin-1-yl]methanone.
What is the SMILES notation for 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-[3-(hydroxymethyl)azetidin-1-yl]methanone?
The canonical SMILES for 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-[3-(hydroxymethyl)azetidin-1-yl]methanone is O=C(C1NCC2CCCC21)N1CC(CO)C1.
What is the InChIKey of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-[3-(hydroxymethyl)azetidin-1-yl]methanone?
The InChIKey is ITVQPGRQZWFDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c15-7-8-5-14(6-8)12(16)11-10-3-1-2-9(10)4-13-11/h8-11,13,15H,1-7H2.
What are the key properties of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-[3-(hydroxymethyl)azetidin-1-yl]methanone?
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-[3-(hydroxymethyl)azetidin-1-yl]methanone has a molecular weight of 224.30 g/mol, XLogP of -0.17, 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)azetidin-1-yl]methanone is sourced from PubChem (CID 107220421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).