3-[2-(2,3-dihydro-1H-inden-5-yl)propyl]-1-propan-2-ylpyrrolidine

C19H29N — CID 130223925

IUPAC3-[2-(2,3-dihydro-1H-inden-5-yl)propyl]-1-propan-2-ylpyrrolidine
SMILESCC(CC1CCN(C(C)C)C1)c1ccc2c(c1)CCC2
InChIInChI=1S/C19H29N/c1-14(2)20-10-9-16(13-20)11-15(3)18-8-7-17-5-4-6-19(17)12-18/h7-8,12,14-16H,4-6,9-11,13H2,1-3H3
InChIKeyHLWZZNUZMATGLX-UHFFFAOYSA-N
MW271.45 g/mol
LogP4.40
Rot. Bonds4

About 3-[2-(2,3-dihydro-1H-inden-5-yl)propyl]-1-propan-2-ylpyrrolidine

3-[2-(2,3-dihydro-1H-inden-5-yl)propyl]-1-propan-2-ylpyrrolidine (PubChem CID 130223925) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is 3-[2-(2,3-dihydro-1H-inden-5-yl)propyl]-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name3-[2-(2,3-dihydro-1H-inden-5-yl)propyl]-1-propan-2-ylpyrrolidine
PubChem CID130223925
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name3-[2-(2,3-dihydro-1H-inden-5-yl)propyl]-1-propan-2-ylpyrrolidine
SMILESCC(CC1CCN(C(C)C)C1)c1ccc2c(c1)CCC2
InChIInChI=1S/C19H29N/c1-14(2)20-10-9-16(13-20)11-15(3)18-8-7-17-5-4-6-19(17)12-18/h7-8,12,14-16H,4-6,9-11,13H2,1-3H3
InChIKeyHLWZZNUZMATGLX-UHFFFAOYSA-N
XLogP4.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,3-dihydro-1H-inden-5-yl)propyl]-1-propan-2-ylpyrrolidine?
The IUPAC name of 3-[2-(2,3-dihydro-1H-inden-5-yl)propyl]-1-propan-2-ylpyrrolidine (CID 130223925) is 3-[2-(2,3-dihydro-1H-inden-5-yl)propyl]-1-propan-2-ylpyrrolidine.
What is the SMILES notation for 3-[2-(2,3-dihydro-1H-inden-5-yl)propyl]-1-propan-2-ylpyrrolidine?
The canonical SMILES for 3-[2-(2,3-dihydro-1H-inden-5-yl)propyl]-1-propan-2-ylpyrrolidine is CC(CC1CCN(C(C)C)C1)c1ccc2c(c1)CCC2.
What is the InChIKey of 3-[2-(2,3-dihydro-1H-inden-5-yl)propyl]-1-propan-2-ylpyrrolidine?
The InChIKey is HLWZZNUZMATGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-14(2)20-10-9-16(13-20)11-15(3)18-8-7-17-5-4-6-19(17)12-18/h7-8,12,14-16H,4-6,9-11,13H2,1-3H3.
What are the key properties of 3-[2-(2,3-dihydro-1H-inden-5-yl)propyl]-1-propan-2-ylpyrrolidine?
3-[2-(2,3-dihydro-1H-inden-5-yl)propyl]-1-propan-2-ylpyrrolidine has a molecular weight of 271.45 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,3-dihydro-1H-inden-5-yl)propyl]-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 130223925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).