5-(1-methylcyclopropyl)-2,3-dihydro-1H-isoindole

C12H15N — CID 143266017

IUPAC5-(1-methylcyclopropyl)-2,3-dihydro-1H-isoindole
SMILESCC1(c2ccc3c(c2)CNC3)CC1
InChIInChI=1S/C12H15N/c1-12(4-5-12)11-3-2-9-7-13-8-10(9)6-11/h2-3,6,13H,4-5,7-8H2,1H3
InChIKeyJTWRTSCFSKNHPP-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.34
Rot. Bonds1

About 5-(1-methylcyclopropyl)-2,3-dihydro-1H-isoindole

5-(1-methylcyclopropyl)-2,3-dihydro-1H-isoindole (PubChem CID 143266017) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 5-(1-methylcyclopropyl)-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name5-(1-methylcyclopropyl)-2,3-dihydro-1H-isoindole
PubChem CID143266017
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name5-(1-methylcyclopropyl)-2,3-dihydro-1H-isoindole
SMILESCC1(c2ccc3c(c2)CNC3)CC1
InChIInChI=1S/C12H15N/c1-12(4-5-12)11-3-2-9-7-13-8-10(9)6-11/h2-3,6,13H,4-5,7-8H2,1H3
InChIKeyJTWRTSCFSKNHPP-UHFFFAOYSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(4-methylpiperidin-4-yl)oxy-2,3-dihydro-1H-isoindole
CID 115075958
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N,4,4-trimethylcyclohexan-1-amine
CID 103998380
2,3-dihydro-1H-isoindol-5-ol;methanol;yttrium
CID 166486218
2-(1-methylcyclopropyl)naphthalene
CID 10511657
5-[(1-methylcyclohexyl)methoxy]-2,3-dihydro-1H-isoindole
CID 115075931
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3,3-dimethylcyclopentan-1-amine
CID 114547417
ethane;5-propan-2-yl-2,3-dihydro-1H-isoindole
CID 161239828
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-methyl-1,1-dioxothiolan-3-amine
CID 103998216
5-methylsulfonyl-2,3-dihydro-1H-isoindole
CID 122493957
2-(2,3-dihydro-1H-isoindol-5-yl)propan-2-amine
CID 150286904
5-(1,3-dimethylpyrrolidin-3-yl)oxy-2,3-dihydro-1H-isoindole
CID 115075947
4-(2,3-dihydro-1H-isoindol-5-yl)-2-methylbutan-2-ol
CID 105457920

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylcyclopropyl)-2,3-dihydro-1H-isoindole?
The IUPAC name of 5-(1-methylcyclopropyl)-2,3-dihydro-1H-isoindole (CID 143266017) is 5-(1-methylcyclopropyl)-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 5-(1-methylcyclopropyl)-2,3-dihydro-1H-isoindole?
The canonical SMILES for 5-(1-methylcyclopropyl)-2,3-dihydro-1H-isoindole is CC1(c2ccc3c(c2)CNC3)CC1.
What is the InChIKey of 5-(1-methylcyclopropyl)-2,3-dihydro-1H-isoindole?
The InChIKey is JTWRTSCFSKNHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-12(4-5-12)11-3-2-9-7-13-8-10(9)6-11/h2-3,6,13H,4-5,7-8H2,1H3.
What are the key properties of 5-(1-methylcyclopropyl)-2,3-dihydro-1H-isoindole?
5-(1-methylcyclopropyl)-2,3-dihydro-1H-isoindole has a molecular weight of 173.26 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylcyclopropyl)-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 143266017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).