[(2R)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]methanol

C12H13NO — CID 10583749

IUPAC[(2R)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]methanol
SMILESOC[C@@H]1Cc2cc3ccccc3n2C1
InChIInChI=1S/C12H13NO/c14-8-9-5-11-6-10-3-1-2-4-12(10)13(11)7-9/h1-4,6,9,14H,5,7-8H2/t9-/m1/s1
InChIKeyXBPTULRKNULCHF-SECBINFHSA-N
MW187.24 g/mol
LogP1.81
Rot. Bonds1

About [(2R)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]methanol

[(2R)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]methanol (PubChem CID 10583749) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is [(2R)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]methanol
PubChem CID10583749
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name[(2R)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]methanol
SMILESOC[C@@H]1Cc2cc3ccccc3n2C1
InChIInChI=1S/C12H13NO/c14-8-9-5-11-6-10-3-1-2-4-12(10)13(11)7-9/h1-4,6,9,14H,5,7-8H2/t9-/m1/s1
InChIKeyXBPTULRKNULCHF-SECBINFHSA-N
XLogP1.81
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]methanol?
The IUPAC name of [(2R)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]methanol (CID 10583749) is [(2R)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]methanol.
What is the SMILES notation for [(2R)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]methanol?
The canonical SMILES for [(2R)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]methanol is OC[C@@H]1Cc2cc3ccccc3n2C1.
What is the InChIKey of [(2R)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]methanol?
The InChIKey is XBPTULRKNULCHF-SECBINFHSA-N. The full InChI is InChI=1S/C12H13NO/c14-8-9-5-11-6-10-3-1-2-4-12(10)13(11)7-9/h1-4,6,9,14H,5,7-8H2/t9-/m1/s1.
What are the key properties of [(2R)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]methanol?
[(2R)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]methanol has a molecular weight of 187.24 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]methanol is sourced from PubChem (CID 10583749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).