1-(3aH-inden-1-yl)pyrrolidine

C13H15N — CID 135556128

IUPAC1-(3aH-inden-1-yl)pyrrolidine
SMILESC1=CC2=C(N3CCCC3)C=CC2C=C1
InChIInChI=1S/C13H15N/c1-2-6-12-11(5-1)7-8-13(12)14-9-3-4-10-14/h1-2,5-8,11H,3-4,9-10H2
InChIKeyMGZLLBPEPQOSAW-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.65
Rot. Bonds1

About 1-(3aH-inden-1-yl)pyrrolidine

1-(3aH-inden-1-yl)pyrrolidine (PubChem CID 135556128) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(3aH-inden-1-yl)pyrrolidine.

Molecular Properties

Compound Name1-(3aH-inden-1-yl)pyrrolidine
PubChem CID135556128
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name1-(3aH-inden-1-yl)pyrrolidine
SMILESC1=CC2=C(N3CCCC3)C=CC2C=C1
InChIInChI=1S/C13H15N/c1-2-6-12-11(5-1)7-8-13(12)14-9-3-4-10-14/h1-2,5-8,11H,3-4,9-10H2
InChIKeyMGZLLBPEPQOSAW-UHFFFAOYSA-N
XLogP2.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3aH-inden-1-yl)pyrrolidine?
The IUPAC name of 1-(3aH-inden-1-yl)pyrrolidine (CID 135556128) is 1-(3aH-inden-1-yl)pyrrolidine.
What is the SMILES notation for 1-(3aH-inden-1-yl)pyrrolidine?
The canonical SMILES for 1-(3aH-inden-1-yl)pyrrolidine is C1=CC2=C(N3CCCC3)C=CC2C=C1.
What is the InChIKey of 1-(3aH-inden-1-yl)pyrrolidine?
The InChIKey is MGZLLBPEPQOSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-2-6-12-11(5-1)7-8-13(12)14-9-3-4-10-14/h1-2,5-8,11H,3-4,9-10H2.
What are the key properties of 1-(3aH-inden-1-yl)pyrrolidine?
1-(3aH-inden-1-yl)pyrrolidine has a molecular weight of 185.27 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3aH-inden-1-yl)pyrrolidine is sourced from PubChem (CID 135556128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).