2-cyclopropyl-1,3-dihydroisoindole

C11H13N — CID 12953703

IUPAC2-cyclopropyl-1,3-dihydroisoindole
SMILESc1ccc2c(c1)CN(C1CC1)C2
InChIInChI=1S/C11H13N/c1-2-4-10-8-12(11-5-6-11)7-9(10)3-1/h1-4,11H,5-8H2
InChIKeyXMZMBSSVHCEAEG-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.16
Rot. Bonds1

About 2-cyclopropyl-1,3-dihydroisoindole

2-cyclopropyl-1,3-dihydroisoindole (PubChem CID 12953703) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-cyclopropyl-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-cyclopropyl-1,3-dihydroisoindole
PubChem CID12953703
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name2-cyclopropyl-1,3-dihydroisoindole
SMILESc1ccc2c(c1)CN(C1CC1)C2
InChIInChI=1S/C11H13N/c1-2-4-10-8-12(11-5-6-11)7-9(10)3-1/h1-4,11H,5-8H2
InChIKeyXMZMBSSVHCEAEG-UHFFFAOYSA-N
XLogP2.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1,3-dihydroisoindole?
The IUPAC name of 2-cyclopropyl-1,3-dihydroisoindole (CID 12953703) is 2-cyclopropyl-1,3-dihydroisoindole.
What is the SMILES notation for 2-cyclopropyl-1,3-dihydroisoindole?
The canonical SMILES for 2-cyclopropyl-1,3-dihydroisoindole is c1ccc2c(c1)CN(C1CC1)C2.
What is the InChIKey of 2-cyclopropyl-1,3-dihydroisoindole?
The InChIKey is XMZMBSSVHCEAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-2-4-10-8-12(11-5-6-11)7-9(10)3-1/h1-4,11H,5-8H2.
What are the key properties of 2-cyclopropyl-1,3-dihydroisoindole?
2-cyclopropyl-1,3-dihydroisoindole has a molecular weight of 159.23 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1,3-dihydroisoindole is sourced from PubChem (CID 12953703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).