1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propan-2-ol

C14H19NO — CID 117309876

IUPAC1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propan-2-ol
SMILESCC(O)Cc1ccc2c(c1)CN(C1CC1)C2
InChIInChI=1S/C14H19NO/c1-10(16)6-11-2-3-12-8-15(14-4-5-14)9-13(12)7-11/h2-3,7,10,14,16H,4-6,8-9H2,1H3
InChIKeyGWKVEJWRLFZCNK-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.09
Rot. Bonds3

About 1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propan-2-ol

1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propan-2-ol (PubChem CID 117309876) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propan-2-ol
PubChem CID117309876
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propan-2-ol
SMILESCC(O)Cc1ccc2c(c1)CN(C1CC1)C2
InChIInChI=1S/C14H19NO/c1-10(16)6-11-2-3-12-8-15(14-4-5-14)9-13(12)7-11/h2-3,7,10,14,16H,4-6,8-9H2,1H3
InChIKeyGWKVEJWRLFZCNK-UHFFFAOYSA-N
XLogP2.09
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)ethanamine
CID 83832101
2-cyclopropyl-7-ethyl-3,4-dihydro-1H-isoquinoline
CID 138530633
1-(1,2-dimethyl-2,3-dihydroindol-5-yl)propan-2-ol
CID 117203180
6-(2-hydroxypropyl)-2-propan-2-yl-3H-isoindol-1-one
CID 117338410
2-[1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)cyclopropyl]acetic acid
CID 117396653
3-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)-3-methylbutanoic acid
CID 117402376
1-(3-chloro-4-cyclopropylphenyl)propan-2-ol
CID 117300896
3-cyclopropyl-3-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanoic acid
CID 117431438
1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-pyridin-4-ylpropan-2-ol
CID 58277876
1-(2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)propan-2-ol
CID 105457907
1-[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]phenyl]propan-2-ol
CID 71271257
1-(3-fluoro-4-piperidin-1-ylphenyl)propan-2-ol
CID 117347394

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propan-2-ol?
The IUPAC name of 1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propan-2-ol (CID 117309876) is 1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propan-2-ol.
What is the SMILES notation for 1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propan-2-ol?
The canonical SMILES for 1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propan-2-ol is CC(O)Cc1ccc2c(c1)CN(C1CC1)C2.
What is the InChIKey of 1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propan-2-ol?
The InChIKey is GWKVEJWRLFZCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-10(16)6-11-2-3-12-8-15(14-4-5-14)9-13(12)7-11/h2-3,7,10,14,16H,4-6,8-9H2,1H3.
What are the key properties of 1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propan-2-ol?
1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propan-2-ol has a molecular weight of 217.31 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propan-2-ol is sourced from PubChem (CID 117309876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).