(1'S,2R,4'R)-6-methylspiro[3H-chromene-2,2'-7-azabicyclo[2.2.1]heptane]-4-one

C15H17NO2 — CID 95857515

IUPAC(1'S,2R,4'R)-6-methylspiro[3H-chromene-2,2'-7-azabicyclo[2.2.1]heptane]-4-one
SMILESCc1ccc2c(c1)C(=O)C[C@@]1(C[C@H]3CC[C@@H]1N3)O2
InChIInChI=1S/C15H17NO2/c1-9-2-4-13-11(6-9)12(17)8-15(18-13)7-10-3-5-14(15)16-10/h2,4,6,10,14,16H,3,5,7-8H2,1H3/t10-,14+,15-/m1/s1
InChIKeyHYWWUAGPPPYSGD-WKPIXPDZSA-N
MW243.31 g/mol
LogP2.22
Rot. Bonds

About (1'S,2R,4'R)-6-methylspiro[3H-chromene-2,2'-7-azabicyclo[2.2.1]heptane]-4-one

(1'S,2R,4'R)-6-methylspiro[3H-chromene-2,2'-7-azabicyclo[2.2.1]heptane]-4-one (PubChem CID 95857515) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is (1'S,2R,4'R)-6-methylspiro[3H-chromene-2,2'-7-azabicyclo[2.2.1]heptane]-4-one.

Molecular Properties

Compound Name(1'S,2R,4'R)-6-methylspiro[3H-chromene-2,2'-7-azabicyclo[2.2.1]heptane]-4-one
PubChem CID95857515
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name(1'S,2R,4'R)-6-methylspiro[3H-chromene-2,2'-7-azabicyclo[2.2.1]heptane]-4-one
SMILESCc1ccc2c(c1)C(=O)C[C@@]1(C[C@H]3CC[C@@H]1N3)O2
InChIInChI=1S/C15H17NO2/c1-9-2-4-13-11(6-9)12(17)8-15(18-13)7-10-3-5-14(15)16-10/h2,4,6,10,14,16H,3,5,7-8H2,1H3/t10-,14+,15-/m1/s1
InChIKeyHYWWUAGPPPYSGD-WKPIXPDZSA-N
XLogP2.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1'S,2R,4'R)-6-methylspiro[3H-chromene-2,2'-7-azabicyclo[2.2.1]heptane]-4-one?
The IUPAC name of (1'S,2R,4'R)-6-methylspiro[3H-chromene-2,2'-7-azabicyclo[2.2.1]heptane]-4-one (CID 95857515) is (1'S,2R,4'R)-6-methylspiro[3H-chromene-2,2'-7-azabicyclo[2.2.1]heptane]-4-one.
What is the SMILES notation for (1'S,2R,4'R)-6-methylspiro[3H-chromene-2,2'-7-azabicyclo[2.2.1]heptane]-4-one?
The canonical SMILES for (1'S,2R,4'R)-6-methylspiro[3H-chromene-2,2'-7-azabicyclo[2.2.1]heptane]-4-one is Cc1ccc2c(c1)C(=O)C[C@@]1(C[C@H]3CC[C@@H]1N3)O2.
What is the InChIKey of (1'S,2R,4'R)-6-methylspiro[3H-chromene-2,2'-7-azabicyclo[2.2.1]heptane]-4-one?
The InChIKey is HYWWUAGPPPYSGD-WKPIXPDZSA-N. The full InChI is InChI=1S/C15H17NO2/c1-9-2-4-13-11(6-9)12(17)8-15(18-13)7-10-3-5-14(15)16-10/h2,4,6,10,14,16H,3,5,7-8H2,1H3/t10-,14+,15-/m1/s1.
What are the key properties of (1'S,2R,4'R)-6-methylspiro[3H-chromene-2,2'-7-azabicyclo[2.2.1]heptane]-4-one?
(1'S,2R,4'R)-6-methylspiro[3H-chromene-2,2'-7-azabicyclo[2.2.1]heptane]-4-one has a molecular weight of 243.31 g/mol, XLogP of 2.22, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S,2R,4'R)-6-methylspiro[3H-chromene-2,2'-7-azabicyclo[2.2.1]heptane]-4-one is sourced from PubChem (CID 95857515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).