3-(3aH-inden-2-ylmethyl)-1H-pyrrole

C14H13N — CID 140974375

IUPAC3-(3aH-inden-2-ylmethyl)-1H-pyrrole
SMILESC1=CC2=CC(Cc3cc[nH]c3)=CC2C=C1
InChIInChI=1S/C14H13N/c1-2-4-14-9-12(8-13(14)3-1)7-11-5-6-15-10-11/h1-6,8-10,13,15H,7H2
InChIKeyHBDOTMFABTWOFF-UHFFFAOYSA-N
MW195.27 g/mol
LogP3.17
Rot. Bonds2

About 3-(3aH-inden-2-ylmethyl)-1H-pyrrole

3-(3aH-inden-2-ylmethyl)-1H-pyrrole (PubChem CID 140974375) has the molecular formula C14H13N and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-(3aH-inden-2-ylmethyl)-1H-pyrrole.

Molecular Properties

Compound Name3-(3aH-inden-2-ylmethyl)-1H-pyrrole
PubChem CID140974375
Molecular FormulaC14H13N
Molecular Weight195.27 g/mol
Exact Mass195.10
IUPAC Name3-(3aH-inden-2-ylmethyl)-1H-pyrrole
SMILESC1=CC2=CC(Cc3cc[nH]c3)=CC2C=C1
InChIInChI=1S/C14H13N/c1-2-4-14-9-12(8-13(14)3-1)7-11-5-6-15-10-11/h1-6,8-10,13,15H,7H2
InChIKeyHBDOTMFABTWOFF-UHFFFAOYSA-N
XLogP3.17
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-(3aH-inden-2-ylmethyl)-1H-pyrrole?
The IUPAC name of 3-(3aH-inden-2-ylmethyl)-1H-pyrrole (CID 140974375) is 3-(3aH-inden-2-ylmethyl)-1H-pyrrole.
What is the SMILES notation for 3-(3aH-inden-2-ylmethyl)-1H-pyrrole?
The canonical SMILES for 3-(3aH-inden-2-ylmethyl)-1H-pyrrole is C1=CC2=CC(Cc3cc[nH]c3)=CC2C=C1.
What is the InChIKey of 3-(3aH-inden-2-ylmethyl)-1H-pyrrole?
The InChIKey is HBDOTMFABTWOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N/c1-2-4-14-9-12(8-13(14)3-1)7-11-5-6-15-10-11/h1-6,8-10,13,15H,7H2.
What are the key properties of 3-(3aH-inden-2-ylmethyl)-1H-pyrrole?
3-(3aH-inden-2-ylmethyl)-1H-pyrrole has a molecular weight of 195.27 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3aH-inden-2-ylmethyl)-1H-pyrrole is sourced from PubChem (CID 140974375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).