1-[(3R)-3-methyl-3H-inden-1-yl]pyrrolidine

C14H17N — CID 139217565

IUPAC1-[(3R)-3-methyl-3H-inden-1-yl]pyrrolidine
SMILESC[C@@H]1C=C(N2CCCC2)c2ccccc21
InChIInChI=1S/C14H17N/c1-11-10-14(15-8-4-5-9-15)13-7-3-2-6-12(11)13/h2-3,6-7,10-11H,4-5,8-9H2,1H3/t11-/m1/s1
InChIKeyJMGRUVCNOAFUJC-LLVKDONJSA-N
MW199.30 g/mol
LogP3.24
Rot. Bonds1

About 1-[(3R)-3-methyl-3H-inden-1-yl]pyrrolidine

1-[(3R)-3-methyl-3H-inden-1-yl]pyrrolidine (PubChem CID 139217565) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-[(3R)-3-methyl-3H-inden-1-yl]pyrrolidine.

Molecular Properties

Compound Name1-[(3R)-3-methyl-3H-inden-1-yl]pyrrolidine
PubChem CID139217565
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name1-[(3R)-3-methyl-3H-inden-1-yl]pyrrolidine
SMILESC[C@@H]1C=C(N2CCCC2)c2ccccc21
InChIInChI=1S/C14H17N/c1-11-10-14(15-8-4-5-9-15)13-7-3-2-6-12(11)13/h2-3,6-7,10-11H,4-5,8-9H2,1H3/t11-/m1/s1
InChIKeyJMGRUVCNOAFUJC-LLVKDONJSA-N
XLogP3.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-methyl-3H-inden-1-yl]pyrrolidine?
The IUPAC name of 1-[(3R)-3-methyl-3H-inden-1-yl]pyrrolidine (CID 139217565) is 1-[(3R)-3-methyl-3H-inden-1-yl]pyrrolidine.
What is the SMILES notation for 1-[(3R)-3-methyl-3H-inden-1-yl]pyrrolidine?
The canonical SMILES for 1-[(3R)-3-methyl-3H-inden-1-yl]pyrrolidine is C[C@@H]1C=C(N2CCCC2)c2ccccc21.
What is the InChIKey of 1-[(3R)-3-methyl-3H-inden-1-yl]pyrrolidine?
The InChIKey is JMGRUVCNOAFUJC-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17N/c1-11-10-14(15-8-4-5-9-15)13-7-3-2-6-12(11)13/h2-3,6-7,10-11H,4-5,8-9H2,1H3/t11-/m1/s1.
What are the key properties of 1-[(3R)-3-methyl-3H-inden-1-yl]pyrrolidine?
1-[(3R)-3-methyl-3H-inden-1-yl]pyrrolidine has a molecular weight of 199.30 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-methyl-3H-inden-1-yl]pyrrolidine is sourced from PubChem (CID 139217565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).