[(3S)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(1,2-dimethylindol-3-yl)methanone

C18H25N3O2 — CID 124996348

IUPAC[(3S)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(1,2-dimethylindol-3-yl)methanone
SMILESCc1c(C(=O)N2CC[C@](O)(CN(C)C)C2)c2ccccc2n1C
InChIInChI=1S/C18H25N3O2/c1-13-16(14-7-5-6-8-15(14)20(13)4)17(22)21-10-9-18(23,12-21)11-19(2)3/h5-8,23H,9-12H2,1-4H3/t18-/m0/s1
InChIKeyQSGDXUXRFGGVNY-SFHVURJKSA-N
MW315.42 g/mol
LogP1.63
Rot. Bonds3

About [(3S)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(1,2-dimethylindol-3-yl)methanone

[(3S)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(1,2-dimethylindol-3-yl)methanone (PubChem CID 124996348) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is [(3S)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(1,2-dimethylindol-3-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(1,2-dimethylindol-3-yl)methanone
PubChem CID124996348
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name[(3S)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(1,2-dimethylindol-3-yl)methanone
SMILESCc1c(C(=O)N2CC[C@](O)(CN(C)C)C2)c2ccccc2n1C
InChIInChI=1S/C18H25N3O2/c1-13-16(14-7-5-6-8-15(14)20(13)4)17(22)21-10-9-18(23,12-21)11-19(2)3/h5-8,23H,9-12H2,1-4H3/t18-/m0/s1
InChIKeyQSGDXUXRFGGVNY-SFHVURJKSA-N
XLogP1.63
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(1,2-dimethylindol-3-yl)methanone?
The IUPAC name of [(3S)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(1,2-dimethylindol-3-yl)methanone (CID 124996348) is [(3S)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(1,2-dimethylindol-3-yl)methanone.
What is the SMILES notation for [(3S)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(1,2-dimethylindol-3-yl)methanone?
The canonical SMILES for [(3S)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(1,2-dimethylindol-3-yl)methanone is Cc1c(C(=O)N2CC[C@](O)(CN(C)C)C2)c2ccccc2n1C.
What is the InChIKey of [(3S)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(1,2-dimethylindol-3-yl)methanone?
The InChIKey is QSGDXUXRFGGVNY-SFHVURJKSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13-16(14-7-5-6-8-15(14)20(13)4)17(22)21-10-9-18(23,12-21)11-19(2)3/h5-8,23H,9-12H2,1-4H3/t18-/m0/s1.
What are the key properties of [(3S)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(1,2-dimethylindol-3-yl)methanone?
[(3S)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(1,2-dimethylindol-3-yl)methanone has a molecular weight of 315.42 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(1,2-dimethylindol-3-yl)methanone is sourced from PubChem (CID 124996348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).