1-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pyrrolidine

C13H19N — CID 59964096

IUPAC1-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pyrrolidine
SMILESC1=CC2CCC(N3CCCC3)C2C=C1
InChIInChI=1S/C13H19N/c1-2-6-12-11(5-1)7-8-13(12)14-9-3-4-10-14/h1-2,5-6,11-13H,3-4,7-10H2
InChIKeyICOCVRVJYFOOJR-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.60
Rot. Bonds1

About 1-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pyrrolidine

1-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pyrrolidine (PubChem CID 59964096) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 1-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pyrrolidine.

Molecular Properties

Compound Name1-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pyrrolidine
PubChem CID59964096
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name1-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pyrrolidine
SMILESC1=CC2CCC(N3CCCC3)C2C=C1
InChIInChI=1S/C13H19N/c1-2-6-12-11(5-1)7-8-13(12)14-9-3-4-10-14/h1-2,5-6,11-13H,3-4,7-10H2
InChIKeyICOCVRVJYFOOJR-UHFFFAOYSA-N
XLogP2.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pyrrolidine?
The IUPAC name of 1-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pyrrolidine (CID 59964096) is 1-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pyrrolidine.
What is the SMILES notation for 1-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pyrrolidine?
The canonical SMILES for 1-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pyrrolidine is C1=CC2CCC(N3CCCC3)C2C=C1.
What is the InChIKey of 1-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pyrrolidine?
The InChIKey is ICOCVRVJYFOOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-2-6-12-11(5-1)7-8-13(12)14-9-3-4-10-14/h1-2,5-6,11-13H,3-4,7-10H2.
What are the key properties of 1-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pyrrolidine?
1-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pyrrolidine has a molecular weight of 189.30 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pyrrolidine is sourced from PubChem (CID 59964096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).