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

C16H19N3O — CID 66207439

IUPAC1H-indol-6-yl-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone
SMILESCC1C2CNCC2CN1C(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C16H19N3O/c1-10-14-8-17-7-13(14)9-19(10)16(20)12-3-2-11-4-5-18-15(11)6-12/h2-6,10,13-14,17-18H,7-9H2,1H3
InChIKeyLDUJBXWJDFZHFA-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.85
Rot. Bonds1

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

1H-indol-6-yl-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone (PubChem CID 66207439) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1H-indol-6-yl-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone.

Molecular Properties

Compound Name1H-indol-6-yl-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone
PubChem CID66207439
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1H-indol-6-yl-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone
SMILESCC1C2CNCC2CN1C(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C16H19N3O/c1-10-14-8-17-7-13(14)9-19(10)16(20)12-3-2-11-4-5-18-15(11)6-12/h2-6,10,13-14,17-18H,7-9H2,1H3
InChIKeyLDUJBXWJDFZHFA-UHFFFAOYSA-N
XLogP1.85
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-quinolin-6-ylmethanone
CID 66208799
1H-indol-7-yl-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 66207438
(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-quinoxalin-6-ylmethanone
CID 66213045
2,3-dihydro-1,4-benzodioxin-6-yl-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 66207445
(3-methoxy-4-methylphenyl)-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 66213040
(4-fluoro-3-methoxyphenyl)-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 81284204
(2,6-dichlorophenyl)-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 66213440
(2R,3R)-1-(1H-indole-6-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122116493
1H-indol-6-yl-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
CID 98131739
1H-indol-6-yl-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
CID 40947418
(3S,4S)-1-(1H-indole-6-carbonyl)-4-methylpyrrolidine-3-carboxamide
CID 128983948
(5-ethyl-2-methylmorpholin-4-yl)-(1H-indol-6-yl)methanone
CID 61060054

Frequently Asked Questions

What is the IUPAC name of 1H-indol-6-yl-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone?
The IUPAC name of 1H-indol-6-yl-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone (CID 66207439) is 1H-indol-6-yl-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone.
What is the SMILES notation for 1H-indol-6-yl-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone?
The canonical SMILES for 1H-indol-6-yl-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone is CC1C2CNCC2CN1C(=O)c1ccc2cc[nH]c2c1.
What is the InChIKey of 1H-indol-6-yl-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone?
The InChIKey is LDUJBXWJDFZHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-10-14-8-17-7-13(14)9-19(10)16(20)12-3-2-11-4-5-18-15(11)6-12/h2-6,10,13-14,17-18H,7-9H2,1H3.
What are the key properties of 1H-indol-6-yl-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone?
1H-indol-6-yl-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone has a molecular weight of 269.35 g/mol, XLogP of 1.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-6-yl-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone is sourced from PubChem (CID 66207439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).