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

C11H18N2O — CID 130991613

IUPAC3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl-(1-aminocyclopropyl)methanone
SMILESNC1(C(=O)N2CCC3CCCC32)CC1
InChIInChI=1S/C11H18N2O/c12-11(5-6-11)10(14)13-7-4-8-2-1-3-9(8)13/h8-9H,1-7,12H2
InChIKeyCQRHZFMRSSFYES-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.88
Rot. Bonds1

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

3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl-(1-aminocyclopropyl)methanone (PubChem CID 130991613) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl-(1-aminocyclopropyl)methanone.

Molecular Properties

Compound Name3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl-(1-aminocyclopropyl)methanone
PubChem CID130991613
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl-(1-aminocyclopropyl)methanone
SMILESNC1(C(=O)N2CCC3CCCC32)CC1
InChIInChI=1S/C11H18N2O/c12-11(5-6-11)10(14)13-7-4-8-2-1-3-9(8)13/h8-9H,1-7,12H2
InChIKeyCQRHZFMRSSFYES-UHFFFAOYSA-N
XLogP0.88
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(3-aminooxolan-3-yl)methanone
CID 82746951
(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylic acid
CID 70398798
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-[1-(aminomethyl)cycloheptyl]methanone
CID 82747221
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(1-aminocyclopentyl)ethanone
CID 82746412
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(2-methylpiperidin-2-yl)methanone
CID 104597165
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(2-amino-1-methylcyclopentyl)methanone
CID 82767365
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(1-aminocyclopropyl)methanone
CID 65466572
(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl chloride
CID 93494912
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide
CID 77065268
1-(2-cyclopentylpyrrolidine-1-carbonyl)cyclobutane-1-carbothioamide
CID 80589331
[4-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)cyclohexyl]-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone
CID 171722445
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-aminobutan-1-one
CID 81433954

Frequently Asked Questions

What is the IUPAC name of 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl-(1-aminocyclopropyl)methanone?
The IUPAC name of 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl-(1-aminocyclopropyl)methanone (CID 130991613) is 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl-(1-aminocyclopropyl)methanone.
What is the SMILES notation for 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl-(1-aminocyclopropyl)methanone?
The canonical SMILES for 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl-(1-aminocyclopropyl)methanone is NC1(C(=O)N2CCC3CCCC32)CC1.
What is the InChIKey of 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl-(1-aminocyclopropyl)methanone?
The InChIKey is CQRHZFMRSSFYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c12-11(5-6-11)10(14)13-7-4-8-2-1-3-9(8)13/h8-9H,1-7,12H2.
What are the key properties of 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl-(1-aminocyclopropyl)methanone?
3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl-(1-aminocyclopropyl)methanone has a molecular weight of 194.28 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl-(1-aminocyclopropyl)methanone is sourced from PubChem (CID 130991613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).