4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-prop-2-enylbutanamide

C16H19NO2 — CID 78792080

IUPAC4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)CCC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H19NO2/c1-2-10-17-16(19)9-8-15(18)14-7-6-12-4-3-5-13(12)11-14/h2,6-7,11H,1,3-5,8-10H2,(H,17,19)
InChIKeyJOIDBJFBMCKHKS-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.44
Rot. Bonds6

About 4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-prop-2-enylbutanamide

4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-prop-2-enylbutanamide (PubChem CID 78792080) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-prop-2-enylbutanamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-prop-2-enylbutanamide
PubChem CID78792080
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)CCC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H19NO2/c1-2-10-17-16(19)9-8-15(18)14-7-6-12-4-3-5-13(12)11-14/h2,6-7,11H,1,3-5,8-10H2,(H,17,19)
InChIKeyJOIDBJFBMCKHKS-UHFFFAOYSA-N
XLogP2.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-3-(prop-2-enylamino)propan-1-one
CID 94260534
1-(2,3-dihydro-1H-inden-5-yl)-2-(prop-2-enylamino)ethanone
CID 82102300
2-(2,3-dihydro-1H-inden-5-yl)-N-prop-2-enylacetamide
CID 60645760
4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-prop-2-ynylbutanamide
CID 30602319
4-(2,3-dihydro-1H-inden-5-yl)-N-(2-hydroxypropyl)-4-oxobutanamide
CID 78856508
4-(2,3-dihydro-1H-inden-5-yl)-N-[3-(dimethylamino)propyl]-4-oxobutanamide
CID 94314016
4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(ethylamino)ethyl]-4-oxobutanamide
CID 119505485
N-[(4-chlorophenyl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
CID 30855920
4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(ethylamino)ethyl]-4-oxobutanamide;hydrochloride
CID 119505484
N-tert-butyl-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
CID 94282659
N-[2-(methylamino)ethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide;hydrochloride
CID 119504083
N-[2-(4-aminophenyl)ethyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
CID 119547831

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-prop-2-enylbutanamide?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-prop-2-enylbutanamide (CID 78792080) is 4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-prop-2-enylbutanamide.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-prop-2-enylbutanamide?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-prop-2-enylbutanamide is C=CCNC(=O)CCC(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-prop-2-enylbutanamide?
The InChIKey is JOIDBJFBMCKHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-2-10-17-16(19)9-8-15(18)14-7-6-12-4-3-5-13(12)11-14/h2,6-7,11H,1,3-5,8-10H2,(H,17,19).
What are the key properties of 4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-prop-2-enylbutanamide?
4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-prop-2-enylbutanamide has a molecular weight of 257.33 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-prop-2-enylbutanamide is sourced from PubChem (CID 78792080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).