(2'R,3R)-2'-(hydroxymethyl)-5-methylspiro[1H-indole-3,1'-cyclopropane]-2-one

C12H13NO2 — CID 52915747

IUPAC(2'R,3R)-2'-(hydroxymethyl)-5-methylspiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESCc1ccc2c(c1)[C@]1(C[C@H]1CO)C(=O)N2
InChIInChI=1S/C12H13NO2/c1-7-2-3-10-9(4-7)12(11(15)13-10)5-8(12)6-14/h2-4,8,14H,5-6H2,1H3,(H,13,15)/t8-,12+/m0/s1
InChIKeyUEBOTWDUZZEUJQ-QPUJVOFHSA-N
MW203.24 g/mol
LogP1.20
Rot. Bonds1

About (2'R,3R)-2'-(hydroxymethyl)-5-methylspiro[1H-indole-3,1'-cyclopropane]-2-one

(2'R,3R)-2'-(hydroxymethyl)-5-methylspiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 52915747) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is (2'R,3R)-2'-(hydroxymethyl)-5-methylspiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name(2'R,3R)-2'-(hydroxymethyl)-5-methylspiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID52915747
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name(2'R,3R)-2'-(hydroxymethyl)-5-methylspiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESCc1ccc2c(c1)[C@]1(C[C@H]1CO)C(=O)N2
InChIInChI=1S/C12H13NO2/c1-7-2-3-10-9(4-7)12(11(15)13-10)5-8(12)6-14/h2-4,8,14H,5-6H2,1H3,(H,13,15)/t8-,12+/m0/s1
InChIKeyUEBOTWDUZZEUJQ-QPUJVOFHSA-N
XLogP1.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2'R,3R)-2'-(hydroxymethyl)-5-methylspiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of (2'R,3R)-2'-(hydroxymethyl)-5-methylspiro[1H-indole-3,1'-cyclopropane]-2-one (CID 52915747) is (2'R,3R)-2'-(hydroxymethyl)-5-methylspiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for (2'R,3R)-2'-(hydroxymethyl)-5-methylspiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for (2'R,3R)-2'-(hydroxymethyl)-5-methylspiro[1H-indole-3,1'-cyclopropane]-2-one is Cc1ccc2c(c1)[C@]1(C[C@H]1CO)C(=O)N2.
What is the InChIKey of (2'R,3R)-2'-(hydroxymethyl)-5-methylspiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is UEBOTWDUZZEUJQ-QPUJVOFHSA-N. The full InChI is InChI=1S/C12H13NO2/c1-7-2-3-10-9(4-7)12(11(15)13-10)5-8(12)6-14/h2-4,8,14H,5-6H2,1H3,(H,13,15)/t8-,12+/m0/s1.
What are the key properties of (2'R,3R)-2'-(hydroxymethyl)-5-methylspiro[1H-indole-3,1'-cyclopropane]-2-one?
(2'R,3R)-2'-(hydroxymethyl)-5-methylspiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 203.24 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R,3R)-2'-(hydroxymethyl)-5-methylspiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 52915747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).