1-[(3S)-3-phenyl-3H-inden-1-yl]pyrrolidine

C19H19N — CID 139217568

IUPAC1-[(3S)-3-phenyl-3H-inden-1-yl]pyrrolidine
SMILESC1=C(N2CCCC2)c2ccccc2[C@@H]1c1ccccc1
InChIInChI=1S/C19H19N/c1-2-8-15(9-3-1)18-14-19(20-12-6-7-13-20)17-11-5-4-10-16(17)18/h1-5,8-11,14,18H,6-7,12-13H2/t18-/m0/s1
InChIKeyHAFJXVRNCZEQDX-SFHVURJKSA-N
MW261.37 g/mol
LogP4.27
Rot. Bonds2

About 1-[(3S)-3-phenyl-3H-inden-1-yl]pyrrolidine

1-[(3S)-3-phenyl-3H-inden-1-yl]pyrrolidine (PubChem CID 139217568) has the molecular formula C19H19N and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[(3S)-3-phenyl-3H-inden-1-yl]pyrrolidine.

Molecular Properties

Compound Name1-[(3S)-3-phenyl-3H-inden-1-yl]pyrrolidine
PubChem CID139217568
Molecular FormulaC19H19N
Molecular Weight261.37 g/mol
Exact Mass261.15
IUPAC Name1-[(3S)-3-phenyl-3H-inden-1-yl]pyrrolidine
SMILESC1=C(N2CCCC2)c2ccccc2[C@@H]1c1ccccc1
InChIInChI=1S/C19H19N/c1-2-8-15(9-3-1)18-14-19(20-12-6-7-13-20)17-11-5-4-10-16(17)18/h1-5,8-11,14,18H,6-7,12-13H2/t18-/m0/s1
InChIKeyHAFJXVRNCZEQDX-SFHVURJKSA-N
XLogP4.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-phenyl-3H-inden-1-yl]pyrrolidine?
The IUPAC name of 1-[(3S)-3-phenyl-3H-inden-1-yl]pyrrolidine (CID 139217568) is 1-[(3S)-3-phenyl-3H-inden-1-yl]pyrrolidine.
What is the SMILES notation for 1-[(3S)-3-phenyl-3H-inden-1-yl]pyrrolidine?
The canonical SMILES for 1-[(3S)-3-phenyl-3H-inden-1-yl]pyrrolidine is C1=C(N2CCCC2)c2ccccc2[C@@H]1c1ccccc1.
What is the InChIKey of 1-[(3S)-3-phenyl-3H-inden-1-yl]pyrrolidine?
The InChIKey is HAFJXVRNCZEQDX-SFHVURJKSA-N. The full InChI is InChI=1S/C19H19N/c1-2-8-15(9-3-1)18-14-19(20-12-6-7-13-20)17-11-5-4-10-16(17)18/h1-5,8-11,14,18H,6-7,12-13H2/t18-/m0/s1.
What are the key properties of 1-[(3S)-3-phenyl-3H-inden-1-yl]pyrrolidine?
1-[(3S)-3-phenyl-3H-inden-1-yl]pyrrolidine has a molecular weight of 261.37 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-phenyl-3H-inden-1-yl]pyrrolidine is sourced from PubChem (CID 139217568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).