2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole

C11H13N — CID 11744913

IUPAC2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole
SMILESc1ccc2c(c1)CC1CCCN21
InChIInChI=1S/C11H13N/c1-2-6-11-9(4-1)8-10-5-3-7-12(10)11/h1-2,4,6,10H,3,5,7-8H2
InChIKeyVQQAVYDAXAHZCO-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.21
Rot. Bonds

About 2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole

2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole (PubChem CID 11744913) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole.

Molecular Properties

Compound Name2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole
PubChem CID11744913
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole
SMILESc1ccc2c(c1)CC1CCCN21
InChIInChI=1S/C11H13N/c1-2-6-11-9(4-1)8-10-5-3-7-12(10)11/h1-2,4,6,10H,3,5,7-8H2
InChIKeyVQQAVYDAXAHZCO-UHFFFAOYSA-N
XLogP2.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole?
The IUPAC name of 2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole (CID 11744913) is 2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole.
What is the SMILES notation for 2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole?
The canonical SMILES for 2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole is c1ccc2c(c1)CC1CCCN21.
What is the InChIKey of 2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole?
The InChIKey is VQQAVYDAXAHZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-2-6-11-9(4-1)8-10-5-3-7-12(10)11/h1-2,4,6,10H,3,5,7-8H2.
What are the key properties of 2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole?
2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole has a molecular weight of 159.23 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole is sourced from PubChem (CID 11744913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).