1-(3-methyl-1-propan-2-yl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indol-2-yl)ethanone

C16H28N2O — CID 59215649

IUPAC1-(3-methyl-1-propan-2-yl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indol-2-yl)ethanone
SMILESCC(=O)C1C(C(C)C)C2C3CCCCC3NC2N1C
InChIInChI=1S/C16H28N2O/c1-9(2)13-14-11-7-5-6-8-12(11)17-16(14)18(4)15(13)10(3)19/h9,11-17H,5-8H2,1-4H3
InChIKeyLAPDZBRRYZHZAG-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.27
Rot. Bonds2

About 1-(3-methyl-1-propan-2-yl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indol-2-yl)ethanone

1-(3-methyl-1-propan-2-yl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indol-2-yl)ethanone (PubChem CID 59215649) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-(3-methyl-1-propan-2-yl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indol-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-methyl-1-propan-2-yl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indol-2-yl)ethanone
PubChem CID59215649
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-(3-methyl-1-propan-2-yl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indol-2-yl)ethanone
SMILESCC(=O)C1C(C(C)C)C2C3CCCCC3NC2N1C
InChIInChI=1S/C16H28N2O/c1-9(2)13-14-11-7-5-6-8-12(11)17-16(14)18(4)15(13)10(3)19/h9,11-17H,5-8H2,1-4H3
InChIKeyLAPDZBRRYZHZAG-UHFFFAOYSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-methyl-1-propan-2-yl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indol-2-yl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1-propan-2-yl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indol-2-yl)ethanone?
The IUPAC name of 1-(3-methyl-1-propan-2-yl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indol-2-yl)ethanone (CID 59215649) is 1-(3-methyl-1-propan-2-yl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indol-2-yl)ethanone.
What is the SMILES notation for 1-(3-methyl-1-propan-2-yl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indol-2-yl)ethanone?
The canonical SMILES for 1-(3-methyl-1-propan-2-yl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indol-2-yl)ethanone is CC(=O)C1C(C(C)C)C2C3CCCCC3NC2N1C.
What is the InChIKey of 1-(3-methyl-1-propan-2-yl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indol-2-yl)ethanone?
The InChIKey is LAPDZBRRYZHZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-9(2)13-14-11-7-5-6-8-12(11)17-16(14)18(4)15(13)10(3)19/h9,11-17H,5-8H2,1-4H3.
What are the key properties of 1-(3-methyl-1-propan-2-yl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indol-2-yl)ethanone?
1-(3-methyl-1-propan-2-yl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indol-2-yl)ethanone has a molecular weight of 264.41 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1-propan-2-yl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indol-2-yl)ethanone is sourced from PubChem (CID 59215649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).