cyclohexyl-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone

C14H24N2O — CID 121185224

IUPACcyclohexyl-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
SMILESCN1CC2CN(C(=O)C3CCCCC3)CC2C1
InChIInChI=1S/C14H24N2O/c1-15-7-12-9-16(10-13(12)8-15)14(17)11-5-3-2-4-6-11/h11-13H,2-10H2,1H3
InChIKeyDNQRTNUFTCZPDG-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.59
Rot. Bonds1

About cyclohexyl-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone

cyclohexyl-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone (PubChem CID 121185224) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is cyclohexyl-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone.

Molecular Properties

Compound Namecyclohexyl-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
PubChem CID121185224
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Namecyclohexyl-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
SMILESCN1CC2CN(C(=O)C3CCCCC3)CC2C1
InChIInChI=1S/C14H24N2O/c1-15-7-12-9-16(10-13(12)8-15)14(17)11-5-3-2-4-6-11/h11-13H,2-10H2,1H3
InChIKeyDNQRTNUFTCZPDG-UHFFFAOYSA-N
XLogP1.59
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 2915019
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aziridin-1-yl(cyclohexyl)methanone
CID 2309619
(3aR,6aS)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 136588112
cyclopentyl-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone
CID 71999144
(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-cyclohexylmethanone
CID 69121814
cyclopentyl-[2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
CID 121185694
[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-cyclooctylmethanone
CID 102679761
1-(cyclohexanecarbonyl)azetidine-3-carbonitrile;ethane
CID 177000428
cyclopentyl-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methanone
CID 95051296
cyclohexyl-[4-(3-methylbutyl)piperazin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone?
The IUPAC name of cyclohexyl-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone (CID 121185224) is cyclohexyl-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone.
What is the SMILES notation for cyclohexyl-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone?
The canonical SMILES for cyclohexyl-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone is CN1CC2CN(C(=O)C3CCCCC3)CC2C1.
What is the InChIKey of cyclohexyl-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone?
The InChIKey is DNQRTNUFTCZPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-15-7-12-9-16(10-13(12)8-15)14(17)11-5-3-2-4-6-11/h11-13H,2-10H2,1H3.
What are the key properties of cyclohexyl-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone?
cyclohexyl-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone has a molecular weight of 236.36 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone is sourced from PubChem (CID 121185224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).