2-cyclopropyl-1-methyl-1,3-dihydroisoindole

C12H15N — CID 12953710

IUPAC2-cyclopropyl-1-methyl-1,3-dihydroisoindole
SMILESCC1c2ccccc2CN1C1CC1
InChIInChI=1S/C12H15N/c1-9-12-5-3-2-4-10(12)8-13(9)11-6-7-11/h2-5,9,11H,6-8H2,1H3
InChIKeyKSYQPIUWRJTVHH-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.73
Rot. Bonds1

About 2-cyclopropyl-1-methyl-1,3-dihydroisoindole

2-cyclopropyl-1-methyl-1,3-dihydroisoindole (PubChem CID 12953710) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-cyclopropyl-1-methyl-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-cyclopropyl-1-methyl-1,3-dihydroisoindole
PubChem CID12953710
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name2-cyclopropyl-1-methyl-1,3-dihydroisoindole
SMILESCC1c2ccccc2CN1C1CC1
InChIInChI=1S/C12H15N/c1-9-12-5-3-2-4-10(12)8-13(9)11-6-7-11/h2-5,9,11H,6-8H2,1H3
InChIKeyKSYQPIUWRJTVHH-UHFFFAOYSA-N
XLogP2.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-dimethyl-1,3-dihydroisoindole
CID 14708634
(2-cyclopropyl-1,3-dihydroisoindol-1-yl)methanol
CID 12953765
N-[(2-cyclopropyl-1,3-dihydroisoindol-1-yl)methyl]-N-ethylethanamine;dihydrochloride
CID 12953776
ethane;1-methyl-1,3-dihydroisoindole-2-carbonitrile
CID 156894592
2,4-dimethyl-1,4-dihydroisoquinolin-3-one;ethane
CID 142177778
(1R)-2-hydroxy-1-methyl-3,4-dihydro-1H-isoquinoline
CID 14951933
tert-butyl-hydroxy-[(1S)-1-methyl-1,3-dihydroisoindol-2-yl]sulfanium
CID 158139472
2,5-dimethyl-1,3,4,5-tetrahydro-2-benzazepine
CID 58975935
2-(1-methyl-1,3-dihydroisoindol-2-yl)acetic acid
CID 126989453
2-cyclopropyl-1,3-dihydroisoindole
CID 12953703
1-methyl-1,3-dihydroisoindole-2-carboximidamide
CID 175465604
1-[(1S)-1-methyl-1,3-dihydroisoindol-2-yl]prop-2-en-1-one
CID 166406899

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-methyl-1,3-dihydroisoindole?
The IUPAC name of 2-cyclopropyl-1-methyl-1,3-dihydroisoindole (CID 12953710) is 2-cyclopropyl-1-methyl-1,3-dihydroisoindole.
What is the SMILES notation for 2-cyclopropyl-1-methyl-1,3-dihydroisoindole?
The canonical SMILES for 2-cyclopropyl-1-methyl-1,3-dihydroisoindole is CC1c2ccccc2CN1C1CC1.
What is the InChIKey of 2-cyclopropyl-1-methyl-1,3-dihydroisoindole?
The InChIKey is KSYQPIUWRJTVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-9-12-5-3-2-4-10(12)8-13(9)11-6-7-11/h2-5,9,11H,6-8H2,1H3.
What are the key properties of 2-cyclopropyl-1-methyl-1,3-dihydroisoindole?
2-cyclopropyl-1-methyl-1,3-dihydroisoindole has a molecular weight of 173.26 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-methyl-1,3-dihydroisoindole is sourced from PubChem (CID 12953710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).