[(1S)-4-ethenyl-2,3-dihydro-1H-isoindol-1-yl]methanol

C11H13NO — CID 130703927

IUPAC[(1S)-4-ethenyl-2,3-dihydro-1H-isoindol-1-yl]methanol
SMILESC=Cc1cccc2c1CN[C@@H]2CO
InChIInChI=1S/C11H13NO/c1-2-8-4-3-5-9-10(8)6-12-11(9)7-13/h2-5,11-13H,1,6-7H2/t11-/m1/s1
InChIKeyNSFZMIOYBFAOPO-LLVKDONJSA-N
MW175.23 g/mol
LogP1.47
Rot. Bonds2

About [(1S)-4-ethenyl-2,3-dihydro-1H-isoindol-1-yl]methanol

[(1S)-4-ethenyl-2,3-dihydro-1H-isoindol-1-yl]methanol (PubChem CID 130703927) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is [(1S)-4-ethenyl-2,3-dihydro-1H-isoindol-1-yl]methanol.

Molecular Properties

Compound Name[(1S)-4-ethenyl-2,3-dihydro-1H-isoindol-1-yl]methanol
PubChem CID130703927
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name[(1S)-4-ethenyl-2,3-dihydro-1H-isoindol-1-yl]methanol
SMILESC=Cc1cccc2c1CN[C@@H]2CO
InChIInChI=1S/C11H13NO/c1-2-8-4-3-5-9-10(8)6-12-11(9)7-13/h2-5,11-13H,1,6-7H2/t11-/m1/s1
InChIKeyNSFZMIOYBFAOPO-LLVKDONJSA-N
XLogP1.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S)-4-amino-2,3-dihydro-1H-isoindol-1-yl]methanol
CID 130900884
[(1R)-5-bromo-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol
CID 96994557
[(1R)-5-methylsulfanyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol
CID 130607756
1,2,3,4-tetrahydroisoquinolin-1-ylmethanol
CID 51358587
(3R)-7-ethenyl-2,3-dihydro-1-benzofuran-3-amine
CID 130739093
[(1R)-6-methyl-2,3-dihydro-1H-isoindol-1-yl]methanol
CID 130741067
2-bromo-1-cyclopropyl-3-ethenylbenzene
CID 118269044
2-[(1R)-2,3-dihydro-1H-isoindol-1-yl]ethanol
CID 129390481
1,2-bis(ethenyl)benzene;2-phenylprop-2-en-1-ol
CID 67859369
(1R)-4-chloro-1-methyl-2,3-dihydro-1H-isoindole
CID 131080602
(3R)-5-ethenyl-1,2,3,4-tetrahydroquinolin-3-amine
CID 130654089
[(1S)-6-methylsulfanyl-2,3-dihydro-1H-isoindol-1-yl]methanol
CID 131172463

Frequently Asked Questions

What is the IUPAC name of [(1S)-4-ethenyl-2,3-dihydro-1H-isoindol-1-yl]methanol?
The IUPAC name of [(1S)-4-ethenyl-2,3-dihydro-1H-isoindol-1-yl]methanol (CID 130703927) is [(1S)-4-ethenyl-2,3-dihydro-1H-isoindol-1-yl]methanol.
What is the SMILES notation for [(1S)-4-ethenyl-2,3-dihydro-1H-isoindol-1-yl]methanol?
The canonical SMILES for [(1S)-4-ethenyl-2,3-dihydro-1H-isoindol-1-yl]methanol is C=Cc1cccc2c1CN[C@@H]2CO.
What is the InChIKey of [(1S)-4-ethenyl-2,3-dihydro-1H-isoindol-1-yl]methanol?
The InChIKey is NSFZMIOYBFAOPO-LLVKDONJSA-N. The full InChI is InChI=1S/C11H13NO/c1-2-8-4-3-5-9-10(8)6-12-11(9)7-13/h2-5,11-13H,1,6-7H2/t11-/m1/s1.
What are the key properties of [(1S)-4-ethenyl-2,3-dihydro-1H-isoindol-1-yl]methanol?
[(1S)-4-ethenyl-2,3-dihydro-1H-isoindol-1-yl]methanol has a molecular weight of 175.23 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-4-ethenyl-2,3-dihydro-1H-isoindol-1-yl]methanol is sourced from PubChem (CID 130703927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).