1-(2,3-dihydro-1H-inden-5-yl)-3-(prop-2-enylamino)propan-1-one

C15H19NO — CID 94260534

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-3-(prop-2-enylamino)propan-1-one
SMILESC=CCNCCC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H19NO/c1-2-9-16-10-8-15(17)14-7-6-12-4-3-5-13(12)11-14/h2,6-7,11,16H,1,3-5,8-10H2
InChIKeySTVGQCAAAQPXHT-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.52
Rot. Bonds6

About 1-(2,3-dihydro-1H-inden-5-yl)-3-(prop-2-enylamino)propan-1-one

1-(2,3-dihydro-1H-inden-5-yl)-3-(prop-2-enylamino)propan-1-one (PubChem CID 94260534) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-3-(prop-2-enylamino)propan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-3-(prop-2-enylamino)propan-1-one
PubChem CID94260534
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-3-(prop-2-enylamino)propan-1-one
SMILESC=CCNCCC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H19NO/c1-2-9-16-10-8-15(17)14-7-6-12-4-3-5-13(12)11-14/h2,6-7,11,16H,1,3-5,8-10H2
InChIKeySTVGQCAAAQPXHT-UHFFFAOYSA-N
XLogP2.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-2-(prop-2-enylamino)ethanone
CID 82102300
4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-prop-2-enylbutanamide
CID 78792080
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(prop-2-enylamino)propan-1-one
CID 94273541
1-(2,3-dihydro-1H-inden-5-yl)-4-phenylbutane-1,4-dione
CID 90371119
4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(ethylamino)ethyl]-4-oxobutanamide
CID 119505485
prop-2-enyl 2,3-dihydro-1H-indene-5-carboxylate
CID 58125258
4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(ethylamino)ethyl]-4-oxobutanamide;hydrochloride
CID 119505484
1-(aziridin-1-yl)-4-(2,3-dihydro-1H-inden-5-yl)butane-1,4-dione
CID 82117888
2-(2,3-dihydro-1H-inden-5-yl)-N-prop-2-enylacetamide
CID 60645760
2-(2-hydroxyethylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 82101380
N-tert-butyl-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
CID 94282659
4-(2,3-dihydro-1H-inden-5-yl)-N-[3-(dimethylamino)propyl]-4-oxobutanamide
CID 94314016

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-(prop-2-enylamino)propan-1-one?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-(prop-2-enylamino)propan-1-one (CID 94260534) is 1-(2,3-dihydro-1H-inden-5-yl)-3-(prop-2-enylamino)propan-1-one.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-3-(prop-2-enylamino)propan-1-one?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-3-(prop-2-enylamino)propan-1-one is C=CCNCCC(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-3-(prop-2-enylamino)propan-1-one?
The InChIKey is STVGQCAAAQPXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-2-9-16-10-8-15(17)14-7-6-12-4-3-5-13(12)11-14/h2,6-7,11,16H,1,3-5,8-10H2.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-3-(prop-2-enylamino)propan-1-one?
1-(2,3-dihydro-1H-inden-5-yl)-3-(prop-2-enylamino)propan-1-one has a molecular weight of 229.32 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-3-(prop-2-enylamino)propan-1-one is sourced from PubChem (CID 94260534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).