(4'R,6'S)-4'-hydroxy-4'-prop-2-enyl-6'-propylspiro[1H-indole-3,2'-oxane]-2-one

C18H23NO3 — CID 118340195

IUPAC(4'R,6'S)-4'-hydroxy-4'-prop-2-enyl-6'-propylspiro[1H-indole-3,2'-oxane]-2-one
SMILESC=CC[C@@]1(O)C[C@H](CCC)OC2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C18H23NO3/c1-3-7-13-11-17(21,10-4-2)12-18(22-13)14-8-5-6-9-15(14)19-16(18)20/h4-6,8-9,13,21H,2-3,7,10-12H2,1H3,(H,19,20)/t13-,17+,18?/m0/s1
InChIKeyPHUXAHGOPJZSFW-DQAFQZJZSA-N
MW301.39 g/mol
LogP3.12
Rot. Bonds4

About (4'R,6'S)-4'-hydroxy-4'-prop-2-enyl-6'-propylspiro[1H-indole-3,2'-oxane]-2-one

(4'R,6'S)-4'-hydroxy-4'-prop-2-enyl-6'-propylspiro[1H-indole-3,2'-oxane]-2-one (PubChem CID 118340195) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is (4'R,6'S)-4'-hydroxy-4'-prop-2-enyl-6'-propylspiro[1H-indole-3,2'-oxane]-2-one.

Molecular Properties

Compound Name(4'R,6'S)-4'-hydroxy-4'-prop-2-enyl-6'-propylspiro[1H-indole-3,2'-oxane]-2-one
PubChem CID118340195
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name(4'R,6'S)-4'-hydroxy-4'-prop-2-enyl-6'-propylspiro[1H-indole-3,2'-oxane]-2-one
SMILESC=CC[C@@]1(O)C[C@H](CCC)OC2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C18H23NO3/c1-3-7-13-11-17(21,10-4-2)12-18(22-13)14-8-5-6-9-15(14)19-16(18)20/h4-6,8-9,13,21H,2-3,7,10-12H2,1H3,(H,19,20)/t13-,17+,18?/m0/s1
InChIKeyPHUXAHGOPJZSFW-DQAFQZJZSA-N
XLogP3.12
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4'-hydroxy-6'-propylspiro[1H-indole-3,2'-oxane]-2-one
CID 123548047
6'-but-3-ynylspiro[1H-indole-3,2'-oxane]-2,4'-dione
CID 123642276
(6'R)-6'-(3-chloropropyl)spiro[1H-indole-3,2'-oxane]-2,4'-dione
CID 135305780
(6'S)-6'-[2-(1,3-dioxoisoindol-2-yl)ethyl]spiro[1H-indole-3,2'-oxane]-2,4'-dione
CID 135305783
(1'R,3R)-1'-methylspiro[1H-indole-3,3'-4,5,6,7-tetrahydro-1H-cyclopenta[c]pyran]-2-one
CID 139218215
(2S,6S)-2,3-dimethylspiro[1,3-oxazinane-6,3'-1H-indole]-2'-one
CID 162959161
3-butyl-3-hydroxy-1H-indol-2-one
CID 15744776
4-butylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one
CID 91307632
tert-butyl N-[2-(2-oxo-3-prop-2-enyl-1H-indol-3-yl)ethyl]carbamate
CID 168996714
(3S)-3-hydroxy-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-1H-indol-2-one
CID 696392
N-[(3R,4'S)-2-oxospiro[1H-indole-3,2'-oxane]-4'-yl]acetamide
CID 168509977
3-hydroxy-3-[(E)-2-oxohept-3-enyl]-1H-indol-2-one
CID 134155899

Frequently Asked Questions

What is the IUPAC name of (4'R,6'S)-4'-hydroxy-4'-prop-2-enyl-6'-propylspiro[1H-indole-3,2'-oxane]-2-one?
The IUPAC name of (4'R,6'S)-4'-hydroxy-4'-prop-2-enyl-6'-propylspiro[1H-indole-3,2'-oxane]-2-one (CID 118340195) is (4'R,6'S)-4'-hydroxy-4'-prop-2-enyl-6'-propylspiro[1H-indole-3,2'-oxane]-2-one.
What is the SMILES notation for (4'R,6'S)-4'-hydroxy-4'-prop-2-enyl-6'-propylspiro[1H-indole-3,2'-oxane]-2-one?
The canonical SMILES for (4'R,6'S)-4'-hydroxy-4'-prop-2-enyl-6'-propylspiro[1H-indole-3,2'-oxane]-2-one is C=CC[C@@]1(O)C[C@H](CCC)OC2(C1)C(=O)Nc1ccccc12.
What is the InChIKey of (4'R,6'S)-4'-hydroxy-4'-prop-2-enyl-6'-propylspiro[1H-indole-3,2'-oxane]-2-one?
The InChIKey is PHUXAHGOPJZSFW-DQAFQZJZSA-N. The full InChI is InChI=1S/C18H23NO3/c1-3-7-13-11-17(21,10-4-2)12-18(22-13)14-8-5-6-9-15(14)19-16(18)20/h4-6,8-9,13,21H,2-3,7,10-12H2,1H3,(H,19,20)/t13-,17+,18?/m0/s1.
What are the key properties of (4'R,6'S)-4'-hydroxy-4'-prop-2-enyl-6'-propylspiro[1H-indole-3,2'-oxane]-2-one?
(4'R,6'S)-4'-hydroxy-4'-prop-2-enyl-6'-propylspiro[1H-indole-3,2'-oxane]-2-one has a molecular weight of 301.39 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4'R,6'S)-4'-hydroxy-4'-prop-2-enyl-6'-propylspiro[1H-indole-3,2'-oxane]-2-one is sourced from PubChem (CID 118340195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).