CID 164582213

C16H19NO3 — CID 164582213

IUPAC—
SMILESCN1C(=O)C2(CCC3(CC2)OCCO3)c2ccccc21
InChIInChI=1S/C16H19NO3/c1-17-13-5-3-2-4-12(13)15(14(17)18)6-8-16(9-7-15)19-10-11-20-16/h2-5H,6-11H2,1H3
InChIKeyDQUDBACBOKJXKH-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.22
Rot. Bonds

About CID 164582213

CID 164582213 (PubChem CID 164582213) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol.

Molecular Properties

Compound NameCID 164582213
PubChem CID164582213
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name—
SMILESCN1C(=O)C2(CCC3(CC2)OCCO3)c2ccccc21
InChIInChI=1S/C16H19NO3/c1-17-13-5-3-2-4-12(13)15(14(17)18)6-8-16(9-7-15)19-10-11-20-16/h2-5H,6-11H2,1H3
InChIKeyDQUDBACBOKJXKH-UHFFFAOYSA-N
XLogP2.22
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 14317864
CID 164582518
CID 164582518
CID 59909654
CID 59909654
1'-methylspiro[cyclohexene-4,3'-indole]-2'-one
CID 12024416
1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxamide
CID 57097431
(3S)-1-methylspiro[indole-3,3'-piperidine]-2-one
CID 95187712
1-methyl-1'-(pyrrolidine-1-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 97452604
(4R)-1,1'-dimethylspiro[3H-quinoline-4,3'-pyrrolidine]-2,2',5'-trione
CID 162402033
1-methyl-1'-(oxane-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 91914380
1'-cyclopropylsulfonyl-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 56906621
1,3'-dimethylspiro[indole-3,5'-oxane]-2,2'-dione
CID 132918334
(3S)-5-acetyl-1',6-dimethylspiro[2,4-dihydropyran-3,3'-indole]-2'-one
CID 102110139

Frequently Asked Questions

What is the IUPAC name of CID 164582213?
The IUPAC name of CID 164582213 (CID 164582213) is not available.
What is the SMILES notation for CID 164582213?
The canonical SMILES for CID 164582213 is CN1C(=O)C2(CCC3(CC2)OCCO3)c2ccccc21.
What is the InChIKey of CID 164582213?
The InChIKey is DQUDBACBOKJXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-17-13-5-3-2-4-12(13)15(14(17)18)6-8-16(9-7-15)19-10-11-20-16/h2-5H,6-11H2,1H3.
What are the key properties of CID 164582213?
CID 164582213 has a molecular weight of 273.33 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164582213 is sourced from PubChem (CID 164582213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).