CID 175964280

C15H20INO2 — CID 175964280

IUPAC—
SMILESI.c1ccc2c(c1)NCC21CCC2(CC1)OCCO2
InChIInChI=1S/C15H19NO2.HI/c1-2-4-13-12(3-1)14(11-16-13)5-7-15(8-6-14)17-9-10-18-15;/h1-4,16H,5-11H2;1H
InChIKeyRTJWSSKVVGEWRU-UHFFFAOYSA-N
MW373.23 g/mol
LogP3.29
Rot. Bonds

About CID 175964280

CID 175964280 (PubChem CID 175964280) has the molecular formula C15H20INO2 and a molecular weight of 373.23 g/mol.

Molecular Properties

Compound NameCID 175964280
PubChem CID175964280
Molecular FormulaC15H20INO2
Molecular Weight373.23 g/mol
Exact Mass373.05
IUPAC Name—
SMILESI.c1ccc2c(c1)NCC21CCC2(CC1)OCCO2
InChIInChI=1S/C15H19NO2.HI/c1-2-4-13-12(3-1)14(11-16-13)5-7-15(8-6-14)17-9-10-18-15;/h1-4,16H,5-11H2;1H
InChIKeyRTJWSSKVVGEWRU-UHFFFAOYSA-N
XLogP3.29
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.23
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

spiro[1,2-dihydroindole-3,1'-cyclohexane];hydrochloride
CID 75465012
(3S)-spiro[1,2-dihydroindole-3,3'-oxolane]
CID 124635965
ethane;spiro[1,2-dihydroindole-3,1'-cyclohexane]
CID 123637985
pyrrolidin-1-yl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone
CID 67667343
ethane;phosphanyl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone
CID 143386492
oxolan-2-yl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone
CID 86284648
fluorocyclopropane;spiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one
CID 166106506
CID 177350414
CID 177350414
N,N,3-trimethyl-1,2-dihydroindol-3-amine
CID 174390026
1'-tert-butylspiro[1,2-dihydroindene-3,4'-piperidine];1'-tert-butylspiro[1,2-dihydroindole-3,4'-piperidine]
CID 158110279
2-methoxy-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethanone
CID 166286568
oxan-4-yl(spiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-yl)methanone
CID 175894730

Frequently Asked Questions

What is the IUPAC name of CID 175964280?
The IUPAC name of CID 175964280 (CID 175964280) is not available.
What is the SMILES notation for CID 175964280?
The canonical SMILES for CID 175964280 is I.c1ccc2c(c1)NCC21CCC2(CC1)OCCO2.
What is the InChIKey of CID 175964280?
The InChIKey is RTJWSSKVVGEWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2.HI/c1-2-4-13-12(3-1)14(11-16-13)5-7-15(8-6-14)17-9-10-18-15;/h1-4,16H,5-11H2;1H.
What are the key properties of CID 175964280?
CID 175964280 has a molecular weight of 373.23 g/mol, XLogP of 3.29, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175964280 is sourced from PubChem (CID 175964280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).