3-amino-3-cyclopropyl-1-(2,3-dihydro-1H-inden-5-yl)butan-2-one

C16H21NO — CID 116558583

IUPAC3-amino-3-cyclopropyl-1-(2,3-dihydro-1H-inden-5-yl)butan-2-one
SMILESCC(N)(C(=O)Cc1ccc2c(c1)CCC2)C1CC1
InChIInChI=1S/C16H21NO/c1-16(17,14-7-8-14)15(18)10-11-5-6-12-3-2-4-13(12)9-11/h5-6,9,14H,2-4,7-8,10,17H2,1H3
InChIKeyVGKSLMJIBXYGOG-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.41
Rot. Bonds4

About 3-amino-3-cyclopropyl-1-(2,3-dihydro-1H-inden-5-yl)butan-2-one

3-amino-3-cyclopropyl-1-(2,3-dihydro-1H-inden-5-yl)butan-2-one (PubChem CID 116558583) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-amino-3-cyclopropyl-1-(2,3-dihydro-1H-inden-5-yl)butan-2-one.

Molecular Properties

Compound Name3-amino-3-cyclopropyl-1-(2,3-dihydro-1H-inden-5-yl)butan-2-one
PubChem CID116558583
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name3-amino-3-cyclopropyl-1-(2,3-dihydro-1H-inden-5-yl)butan-2-one
SMILESCC(N)(C(=O)Cc1ccc2c(c1)CCC2)C1CC1
InChIInChI=1S/C16H21NO/c1-16(17,14-7-8-14)15(18)10-11-5-6-12-3-2-4-13(12)9-11/h5-6,9,14H,2-4,7-8,10,17H2,1H3
InChIKeyVGKSLMJIBXYGOG-UHFFFAOYSA-N
XLogP2.41
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-amino-3-cyclopropyl-1-(2,3-dihydro-1H-inden-5-yl)butan-2-one with MolForge

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

Launch Full Analysis

Related Compounds

3-amino-1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-2-one
CID 116560239
1-(2,3-dihydro-1H-inden-5-yl)-3-hydroxy-3-methylpentan-2-one
CID 103446716
4-amino-1-(2,3-dihydro-1H-inden-5-yl)-4-methylpentan-2-one
CID 116581175
3-amino-3-cyclopropyl-1-(3,5-difluorophenyl)butan-2-one
CID 105411898
N-cyclopropyl-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 8623360
1-cyclobutyl-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 64982201
2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 25653
1-cyclobutyl-3-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-2-ol
CID 113490172
2-(2,3-dihydro-1H-inden-5-yl)-1-(2-methylcyclopropyl)ethanone
CID 65420155
2-(2,3-dihydro-1H-inden-5-yl)-1-(thiolan-2-yl)ethanone
CID 80622050
2-(2,3-dihydro-1H-inden-5-yl)-N-propan-2-ylacetamide
CID 60645732
2-(2,3-dihydro-1H-inden-5-yl)-N-(3-methylcyclopentyl)acetamide
CID 114549929

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-cyclopropyl-1-(2,3-dihydro-1H-inden-5-yl)butan-2-one?
The IUPAC name of 3-amino-3-cyclopropyl-1-(2,3-dihydro-1H-inden-5-yl)butan-2-one (CID 116558583) is 3-amino-3-cyclopropyl-1-(2,3-dihydro-1H-inden-5-yl)butan-2-one.
What is the SMILES notation for 3-amino-3-cyclopropyl-1-(2,3-dihydro-1H-inden-5-yl)butan-2-one?
The canonical SMILES for 3-amino-3-cyclopropyl-1-(2,3-dihydro-1H-inden-5-yl)butan-2-one is CC(N)(C(=O)Cc1ccc2c(c1)CCC2)C1CC1.
What is the InChIKey of 3-amino-3-cyclopropyl-1-(2,3-dihydro-1H-inden-5-yl)butan-2-one?
The InChIKey is VGKSLMJIBXYGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-16(17,14-7-8-14)15(18)10-11-5-6-12-3-2-4-13(12)9-11/h5-6,9,14H,2-4,7-8,10,17H2,1H3.
What are the key properties of 3-amino-3-cyclopropyl-1-(2,3-dihydro-1H-inden-5-yl)butan-2-one?
3-amino-3-cyclopropyl-1-(2,3-dihydro-1H-inden-5-yl)butan-2-one has a molecular weight of 243.35 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-cyclopropyl-1-(2,3-dihydro-1H-inden-5-yl)butan-2-one is sourced from PubChem (CID 116558583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).