(2R)-2-[[(1S)-6-cyclopropyl-2,3-dihydro-1H-inden-1-yl]methyl]-1-methylpyrrolidine

C18H25N — CID 178102639

IUPAC(2R)-2-[[(1S)-6-cyclopropyl-2,3-dihydro-1H-inden-1-yl]methyl]-1-methylpyrrolidine
SMILESCN1CCC[C@@H]1C[C@@H]1CCc2ccc(C3CC3)cc21
InChIInChI=1S/C18H25N/c1-19-10-2-3-17(19)11-16-9-7-14-6-8-15(12-18(14)16)13-4-5-13/h6,8,12-13,16-17H,2-5,7,9-11H2,1H3/t16-,17+/m0/s1
InChIKeyDPLPDEGKQFCPMZ-DLBZAZTESA-N
MW255.40 g/mol
LogP4.08
Rot. Bonds3

About (2R)-2-[[(1S)-6-cyclopropyl-2,3-dihydro-1H-inden-1-yl]methyl]-1-methylpyrrolidine

(2R)-2-[[(1S)-6-cyclopropyl-2,3-dihydro-1H-inden-1-yl]methyl]-1-methylpyrrolidine (PubChem CID 178102639) has the molecular formula C18H25N and a molecular weight of 255.40 g/mol. Its IUPAC name is (2R)-2-[[(1S)-6-cyclopropyl-2,3-dihydro-1H-inden-1-yl]methyl]-1-methylpyrrolidine.

Molecular Properties

Compound Name(2R)-2-[[(1S)-6-cyclopropyl-2,3-dihydro-1H-inden-1-yl]methyl]-1-methylpyrrolidine
PubChem CID178102639
Molecular FormulaC18H25N
Molecular Weight255.40 g/mol
Exact Mass255.20
IUPAC Name(2R)-2-[[(1S)-6-cyclopropyl-2,3-dihydro-1H-inden-1-yl]methyl]-1-methylpyrrolidine
SMILESCN1CCC[C@@H]1C[C@@H]1CCc2ccc(C3CC3)cc21
InChIInChI=1S/C18H25N/c1-19-10-2-3-17(19)11-16-9-7-14-6-8-15(12-18(14)16)13-4-5-13/h6,8,12-13,16-17H,2-5,7,9-11H2,1H3/t16-,17+/m0/s1
InChIKeyDPLPDEGKQFCPMZ-DLBZAZTESA-N
XLogP4.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1S)-6-cyclopropyl-2,3-dihydro-1H-inden-1-yl]methyl]-1-methylpyrrolidine?
The IUPAC name of (2R)-2-[[(1S)-6-cyclopropyl-2,3-dihydro-1H-inden-1-yl]methyl]-1-methylpyrrolidine (CID 178102639) is (2R)-2-[[(1S)-6-cyclopropyl-2,3-dihydro-1H-inden-1-yl]methyl]-1-methylpyrrolidine.
What is the SMILES notation for (2R)-2-[[(1S)-6-cyclopropyl-2,3-dihydro-1H-inden-1-yl]methyl]-1-methylpyrrolidine?
The canonical SMILES for (2R)-2-[[(1S)-6-cyclopropyl-2,3-dihydro-1H-inden-1-yl]methyl]-1-methylpyrrolidine is CN1CCC[C@@H]1C[C@@H]1CCc2ccc(C3CC3)cc21.
What is the InChIKey of (2R)-2-[[(1S)-6-cyclopropyl-2,3-dihydro-1H-inden-1-yl]methyl]-1-methylpyrrolidine?
The InChIKey is DPLPDEGKQFCPMZ-DLBZAZTESA-N. The full InChI is InChI=1S/C18H25N/c1-19-10-2-3-17(19)11-16-9-7-14-6-8-15(12-18(14)16)13-4-5-13/h6,8,12-13,16-17H,2-5,7,9-11H2,1H3/t16-,17+/m0/s1.
What are the key properties of (2R)-2-[[(1S)-6-cyclopropyl-2,3-dihydro-1H-inden-1-yl]methyl]-1-methylpyrrolidine?
(2R)-2-[[(1S)-6-cyclopropyl-2,3-dihydro-1H-inden-1-yl]methyl]-1-methylpyrrolidine has a molecular weight of 255.40 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1S)-6-cyclopropyl-2,3-dihydro-1H-inden-1-yl]methyl]-1-methylpyrrolidine is sourced from PubChem (CID 178102639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).