(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-(3-propan-2-yloxyphenyl)methanone

C17H24N2O2 — CID 62920848

IUPAC(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-(3-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1cccc(C(=O)N2C(C)CC3CNCC32)c1
InChIInChI=1S/C17H24N2O2/c1-11(2)21-15-6-4-5-13(8-15)17(20)19-12(3)7-14-9-18-10-16(14)19/h4-6,8,11-12,14,16,18H,7,9-10H2,1-3H3
InChIKeyUAXYGNNFBXKIQC-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.30
Rot. Bonds3

About (2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-(3-propan-2-yloxyphenyl)methanone

(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-(3-propan-2-yloxyphenyl)methanone (PubChem CID 62920848) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-(3-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-(3-propan-2-yloxyphenyl)methanone
PubChem CID62920848
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-(3-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1cccc(C(=O)N2C(C)CC3CNCC32)c1
InChIInChI=1S/C17H24N2O2/c1-11(2)21-15-6-4-5-13(8-15)17(20)19-12(3)7-14-9-18-10-16(14)19/h4-6,8,11-12,14,16,18H,7,9-10H2,1-3H3
InChIKeyUAXYGNNFBXKIQC-UHFFFAOYSA-N
XLogP2.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-(3-propan-2-yloxyphenyl)methanone with MolForge

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Related Compounds

(3,4-dichlorophenyl)-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)methanone
CID 43595419
(4-chlorophenyl)-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)methanone
CID 43595523
(3-chloro-4-iodophenyl)-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)methanone
CID 103209333
(4-chloro-3-fluorophenyl)-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)methanone
CID 107990028
azetidin-3-yl-(3-propan-2-yloxyphenyl)methanone
CID 116583790
(4-tert-butylphenyl)-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)methanone
CID 43595411
(2,6-dimethylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 63911962
(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(3-propan-2-yloxyphenyl)methanone
CID 62921355
(2-hydroxyphenyl)-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)methanone
CID 43595524
5-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1,3-dihydroindol-2-one
CID 102711419
(3-bromo-5-chlorophenyl)-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)methanone
CID 107939765
(4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone
CID 8779088

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-(3-propan-2-yloxyphenyl)methanone?
The IUPAC name of (2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-(3-propan-2-yloxyphenyl)methanone (CID 62920848) is (2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-(3-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for (2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-(3-propan-2-yloxyphenyl)methanone?
The canonical SMILES for (2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-(3-propan-2-yloxyphenyl)methanone is CC(C)Oc1cccc(C(=O)N2C(C)CC3CNCC32)c1.
What is the InChIKey of (2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-(3-propan-2-yloxyphenyl)methanone?
The InChIKey is UAXYGNNFBXKIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-11(2)21-15-6-4-5-13(8-15)17(20)19-12(3)7-14-9-18-10-16(14)19/h4-6,8,11-12,14,16,18H,7,9-10H2,1-3H3.
What are the key properties of (2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-(3-propan-2-yloxyphenyl)methanone?
(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-(3-propan-2-yloxyphenyl)methanone has a molecular weight of 288.39 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-(3-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 62920848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).