[(3aR,4R)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-4-yl]-phenylmethanol

C18H19NO — CID 101009699

IUPAC[(3aR,4R)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-4-yl]-phenylmethanol
SMILESOC(c1ccccc1)[C@@H]1c2ccccc2N2CCC[C@H]12
InChIInChI=1S/C18H19NO/c20-18(13-7-2-1-3-8-13)17-14-9-4-5-10-15(14)19-12-6-11-16(17)19/h1-5,7-10,16-18,20H,6,11-12H2/t16-,17-,18?/m1/s1
InChIKeyPLXIETYLWJSTDT-OWZOALSMSA-N
MW265.36 g/mol
LogP3.49
Rot. Bonds2

About [(3aR,4R)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-4-yl]-phenylmethanol

[(3aR,4R)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-4-yl]-phenylmethanol (PubChem CID 101009699) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is [(3aR,4R)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-4-yl]-phenylmethanol.

Molecular Properties

Compound Name[(3aR,4R)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-4-yl]-phenylmethanol
PubChem CID101009699
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name[(3aR,4R)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-4-yl]-phenylmethanol
SMILESOC(c1ccccc1)[C@@H]1c2ccccc2N2CCC[C@H]12
InChIInChI=1S/C18H19NO/c20-18(13-7-2-1-3-8-13)17-14-9-4-5-10-15(14)19-12-6-11-16(17)19/h1-5,7-10,16-18,20H,6,11-12H2/t16-,17-,18?/m1/s1
InChIKeyPLXIETYLWJSTDT-OWZOALSMSA-N
XLogP3.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3aR,4R)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-4-yl]-phenylmethanol?
The IUPAC name of [(3aR,4R)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-4-yl]-phenylmethanol (CID 101009699) is [(3aR,4R)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-4-yl]-phenylmethanol.
What is the SMILES notation for [(3aR,4R)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-4-yl]-phenylmethanol?
The canonical SMILES for [(3aR,4R)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-4-yl]-phenylmethanol is OC(c1ccccc1)[C@@H]1c2ccccc2N2CCC[C@H]12.
What is the InChIKey of [(3aR,4R)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-4-yl]-phenylmethanol?
The InChIKey is PLXIETYLWJSTDT-OWZOALSMSA-N. The full InChI is InChI=1S/C18H19NO/c20-18(13-7-2-1-3-8-13)17-14-9-4-5-10-15(14)19-12-6-11-16(17)19/h1-5,7-10,16-18,20H,6,11-12H2/t16-,17-,18?/m1/s1.
What are the key properties of [(3aR,4R)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-4-yl]-phenylmethanol?
[(3aR,4R)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-4-yl]-phenylmethanol has a molecular weight of 265.36 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,4R)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-4-yl]-phenylmethanol is sourced from PubChem (CID 101009699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).