5-methyl-2-propyl-1,3-dihydroisoindole

C12H17N — CID 130841289

IUPAC5-methyl-2-propyl-1,3-dihydroisoindole
SMILESCCCN1Cc2ccc(C)cc2C1
InChIInChI=1S/C12H17N/c1-3-6-13-8-11-5-4-10(2)7-12(11)9-13/h4-5,7H,3,6,8-9H2,1-2H3
InChIKeyQFQKRSNHDDHKCB-UHFFFAOYSA-N
MW175.27 g/mol
LogP2.72
Rot. Bonds2

About 5-methyl-2-propyl-1,3-dihydroisoindole

5-methyl-2-propyl-1,3-dihydroisoindole (PubChem CID 130841289) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 5-methyl-2-propyl-1,3-dihydroisoindole.

Molecular Properties

Compound Name5-methyl-2-propyl-1,3-dihydroisoindole
PubChem CID130841289
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name5-methyl-2-propyl-1,3-dihydroisoindole
SMILESCCCN1Cc2ccc(C)cc2C1
InChIInChI=1S/C12H17N/c1-3-6-13-8-11-5-4-10(2)7-12(11)9-13/h4-5,7H,3,6,8-9H2,1-2H3
InChIKeyQFQKRSNHDDHKCB-UHFFFAOYSA-N
XLogP2.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propyl-1,3-dihydroisoindole?
The IUPAC name of 5-methyl-2-propyl-1,3-dihydroisoindole (CID 130841289) is 5-methyl-2-propyl-1,3-dihydroisoindole.
What is the SMILES notation for 5-methyl-2-propyl-1,3-dihydroisoindole?
The canonical SMILES for 5-methyl-2-propyl-1,3-dihydroisoindole is CCCN1Cc2ccc(C)cc2C1.
What is the InChIKey of 5-methyl-2-propyl-1,3-dihydroisoindole?
The InChIKey is QFQKRSNHDDHKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-3-6-13-8-11-5-4-10(2)7-12(11)9-13/h4-5,7H,3,6,8-9H2,1-2H3.
What are the key properties of 5-methyl-2-propyl-1,3-dihydroisoindole?
5-methyl-2-propyl-1,3-dihydroisoindole has a molecular weight of 175.27 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propyl-1,3-dihydroisoindole is sourced from PubChem (CID 130841289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).