(2-cyclopropyl-1,3-dihydroisoindol-1-yl)methanol

C12H15NO — CID 12953765

IUPAC(2-cyclopropyl-1,3-dihydroisoindol-1-yl)methanol
SMILESOCC1c2ccccc2CN1C1CC1
InChIInChI=1S/C12H15NO/c14-8-12-11-4-2-1-3-9(11)7-13(12)10-5-6-10/h1-4,10,12,14H,5-8H2
InChIKeyPPNBGEAPCLQAPR-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.70
Rot. Bonds2

About (2-cyclopropyl-1,3-dihydroisoindol-1-yl)methanol

(2-cyclopropyl-1,3-dihydroisoindol-1-yl)methanol (PubChem CID 12953765) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (2-cyclopropyl-1,3-dihydroisoindol-1-yl)methanol.

Molecular Properties

Compound Name(2-cyclopropyl-1,3-dihydroisoindol-1-yl)methanol
PubChem CID12953765
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(2-cyclopropyl-1,3-dihydroisoindol-1-yl)methanol
SMILESOCC1c2ccccc2CN1C1CC1
InChIInChI=1S/C12H15NO/c14-8-12-11-4-2-1-3-9(11)7-13(12)10-5-6-10/h1-4,10,12,14H,5-8H2
InChIKeyPPNBGEAPCLQAPR-UHFFFAOYSA-N
XLogP1.70
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2-cyclopropyl-1,3-dihydroisoindol-1-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropyl-1,3-dihydroisoindol-1-yl)methanol?
The IUPAC name of (2-cyclopropyl-1,3-dihydroisoindol-1-yl)methanol (CID 12953765) is (2-cyclopropyl-1,3-dihydroisoindol-1-yl)methanol.
What is the SMILES notation for (2-cyclopropyl-1,3-dihydroisoindol-1-yl)methanol?
The canonical SMILES for (2-cyclopropyl-1,3-dihydroisoindol-1-yl)methanol is OCC1c2ccccc2CN1C1CC1.
What is the InChIKey of (2-cyclopropyl-1,3-dihydroisoindol-1-yl)methanol?
The InChIKey is PPNBGEAPCLQAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c14-8-12-11-4-2-1-3-9(11)7-13(12)10-5-6-10/h1-4,10,12,14H,5-8H2.
What are the key properties of (2-cyclopropyl-1,3-dihydroisoindol-1-yl)methanol?
(2-cyclopropyl-1,3-dihydroisoindol-1-yl)methanol has a molecular weight of 189.26 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropyl-1,3-dihydroisoindol-1-yl)methanol is sourced from PubChem (CID 12953765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).