(1'R,3R)-1'-methylspiro[1H-indole-3,3'-4,5,6,7-tetrahydro-1H-cyclopenta[c]pyran]-2-one

C16H17NO2 — CID 139218215

IUPAC(1'R,3R)-1'-methylspiro[1H-indole-3,3'-4,5,6,7-tetrahydro-1H-cyclopenta[c]pyran]-2-one
SMILESC[C@H]1O[C@@]2(CC3=C1CCC3)C(=O)Nc1ccccc12
InChIInChI=1S/C16H17NO2/c1-10-12-6-4-5-11(12)9-16(19-10)13-7-2-3-8-14(13)17-15(16)18/h2-3,7-8,10H,4-6,9H2,1H3,(H,17,18)/t10-,16-/m1/s1
InChIKeyRXYNRBKZZRJTSL-QLJPJBMISA-N
MW255.32 g/mol
LogP3.12
Rot. Bonds

About (1'R,3R)-1'-methylspiro[1H-indole-3,3'-4,5,6,7-tetrahydro-1H-cyclopenta[c]pyran]-2-one

(1'R,3R)-1'-methylspiro[1H-indole-3,3'-4,5,6,7-tetrahydro-1H-cyclopenta[c]pyran]-2-one (PubChem CID 139218215) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is (1'R,3R)-1'-methylspiro[1H-indole-3,3'-4,5,6,7-tetrahydro-1H-cyclopenta[c]pyran]-2-one.

Molecular Properties

Compound Name(1'R,3R)-1'-methylspiro[1H-indole-3,3'-4,5,6,7-tetrahydro-1H-cyclopenta[c]pyran]-2-one
PubChem CID139218215
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name(1'R,3R)-1'-methylspiro[1H-indole-3,3'-4,5,6,7-tetrahydro-1H-cyclopenta[c]pyran]-2-one
SMILESC[C@H]1O[C@@]2(CC3=C1CCC3)C(=O)Nc1ccccc12
InChIInChI=1S/C16H17NO2/c1-10-12-6-4-5-11(12)9-16(19-10)13-7-2-3-8-14(13)17-15(16)18/h2-3,7-8,10H,4-6,9H2,1H3,(H,17,18)/t10-,16-/m1/s1
InChIKeyRXYNRBKZZRJTSL-QLJPJBMISA-N
XLogP3.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1'S,3R)-1'-(phenylmethoxymethyl)spiro[1H-indole-3,3'-4,5,6,7-tetrahydro-1H-cyclopenta[c]pyran]-2-one
CID 139218217
(2S,6S)-2,3-dimethylspiro[1,3-oxazinane-6,3'-1H-indole]-2'-one
CID 162959161
(6'R)-6'-(3-chloropropyl)spiro[1H-indole-3,2'-oxane]-2,4'-dione
CID 135305780
(3S)-4'-(4-chlorophenyl)spiro[1H-indole-3,2'-3H-pyran]-2,6'-dione
CID 122221121
6'-but-3-ynylspiro[1H-indole-3,2'-oxane]-2,4'-dione
CID 123642276
spiro[1H-indole-3,2'-3,4-dihydrochromene]-2-one
CID 166063555
(4'R,6'S)-4'-hydroxy-4'-prop-2-enyl-6'-propylspiro[1H-indole-3,2'-oxane]-2-one
CID 118340195
N-[(3R,4'S)-2-oxospiro[1H-indole-3,2'-oxane]-4'-yl]acetamide
CID 168509977
(6'S)-6'-[2-(1,3-dioxoisoindol-2-yl)ethyl]spiro[1H-indole-3,2'-oxane]-2,4'-dione
CID 135305783
4'-hydroxy-6'-propylspiro[1H-indole-3,2'-oxane]-2-one
CID 123548047
CID 146949857
CID 146949857
2'-methylspiro[1H-indole-3,4'-cyclohexane]-1',2-dione
CID 59069770

Frequently Asked Questions

What is the IUPAC name of (1'R,3R)-1'-methylspiro[1H-indole-3,3'-4,5,6,7-tetrahydro-1H-cyclopenta[c]pyran]-2-one?
The IUPAC name of (1'R,3R)-1'-methylspiro[1H-indole-3,3'-4,5,6,7-tetrahydro-1H-cyclopenta[c]pyran]-2-one (CID 139218215) is (1'R,3R)-1'-methylspiro[1H-indole-3,3'-4,5,6,7-tetrahydro-1H-cyclopenta[c]pyran]-2-one.
What is the SMILES notation for (1'R,3R)-1'-methylspiro[1H-indole-3,3'-4,5,6,7-tetrahydro-1H-cyclopenta[c]pyran]-2-one?
The canonical SMILES for (1'R,3R)-1'-methylspiro[1H-indole-3,3'-4,5,6,7-tetrahydro-1H-cyclopenta[c]pyran]-2-one is C[C@H]1O[C@@]2(CC3=C1CCC3)C(=O)Nc1ccccc12.
What is the InChIKey of (1'R,3R)-1'-methylspiro[1H-indole-3,3'-4,5,6,7-tetrahydro-1H-cyclopenta[c]pyran]-2-one?
The InChIKey is RXYNRBKZZRJTSL-QLJPJBMISA-N. The full InChI is InChI=1S/C16H17NO2/c1-10-12-6-4-5-11(12)9-16(19-10)13-7-2-3-8-14(13)17-15(16)18/h2-3,7-8,10H,4-6,9H2,1H3,(H,17,18)/t10-,16-/m1/s1.
What are the key properties of (1'R,3R)-1'-methylspiro[1H-indole-3,3'-4,5,6,7-tetrahydro-1H-cyclopenta[c]pyran]-2-one?
(1'R,3R)-1'-methylspiro[1H-indole-3,3'-4,5,6,7-tetrahydro-1H-cyclopenta[c]pyran]-2-one has a molecular weight of 255.32 g/mol, XLogP of 3.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,3R)-1'-methylspiro[1H-indole-3,3'-4,5,6,7-tetrahydro-1H-cyclopenta[c]pyran]-2-one is sourced from PubChem (CID 139218215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).