1-aminospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one;ethene

C16H21NO — CID 21433564

IUPAC1-aminospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one;ethene
SMILESC=C.NC1c2ccccc2CC12CCC(=O)CC2
InChIInChI=1S/C14H17NO.C2H4/c15-13-12-4-2-1-3-10(12)9-14(13)7-5-11(16)6-8-14;1-2/h1-4,13H,5-9,15H2;1-2H2
InChIKeyNZAVOWLPEXHYDR-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.17
Rot. Bonds

About 1-aminospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one;ethene

1-aminospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one;ethene (PubChem CID 21433564) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-aminospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one;ethene.

Molecular Properties

Compound Name1-aminospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one;ethene
PubChem CID21433564
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name1-aminospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one;ethene
SMILESC=C.NC1c2ccccc2CC12CCC(=O)CC2
InChIInChI=1S/C14H17NO.C2H4/c15-13-12-4-2-1-3-10(12)9-14(13)7-5-11(16)6-8-14;1-2/h1-4,13H,5-9,15H2;1-2H2
InChIKeyNZAVOWLPEXHYDR-UHFFFAOYSA-N
XLogP3.17
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-aminospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one;ethene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-aminospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one;ethene?
The IUPAC name of 1-aminospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one;ethene (CID 21433564) is 1-aminospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one;ethene.
What is the SMILES notation for 1-aminospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one;ethene?
The canonical SMILES for 1-aminospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one;ethene is C=C.NC1c2ccccc2CC12CCC(=O)CC2.
What is the InChIKey of 1-aminospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one;ethene?
The InChIKey is NZAVOWLPEXHYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO.C2H4/c15-13-12-4-2-1-3-10(12)9-14(13)7-5-11(16)6-8-14;1-2/h1-4,13H,5-9,15H2;1-2H2.
What are the key properties of 1-aminospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one;ethene?
1-aminospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one;ethene has a molecular weight of 243.35 g/mol, XLogP of 3.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one;ethene is sourced from PubChem (CID 21433564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).