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

C15H17NO — CID 116589560

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-3-(prop-2-ynylamino)propan-2-one
SMILESC#CCNCC(=O)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C15H17NO/c1-2-8-16-11-15(17)10-12-6-7-13-4-3-5-14(13)9-12/h1,6-7,9,16H,3-5,8,10-11H2
InChIKeyVYXWORBTHAHMRJ-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.51
Rot. Bonds5

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

1-(2,3-dihydro-1H-inden-5-yl)-3-(prop-2-ynylamino)propan-2-one (PubChem CID 116589560) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-3-(prop-2-ynylamino)propan-2-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-3-(prop-2-ynylamino)propan-2-one
PubChem CID116589560
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-3-(prop-2-ynylamino)propan-2-one
SMILESC#CCNCC(=O)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C15H17NO/c1-2-8-16-11-15(17)10-12-6-7-13-4-3-5-14(13)9-12/h1,6-7,9,16H,3-5,8,10-11H2
InChIKeyVYXWORBTHAHMRJ-UHFFFAOYSA-N
XLogP1.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yl)-N-propan-2-ylacetamide
CID 60645732
4-amino-1-(2,3-dihydro-1H-inden-5-yl)-4-methylpentan-2-one
CID 116581175
1-(2,3-dihydro-1H-inden-5-yl)-4-methylsulfanylbutan-2-one
CID 105103817
N-propan-2-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 60645733
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
6-amino-1-(2,3-dihydro-1H-inden-5-yl)hexan-2-one
CID 116572068
1-[1-(aminomethyl)cyclobutyl]-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one
CID 116599561
2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 25653
3-amino-1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-2-one
CID 116560239
2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]propanoic acid
CID 43239418
4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-prop-2-ynylbutanamide
CID 30602319

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-(prop-2-ynylamino)propan-2-one?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-(prop-2-ynylamino)propan-2-one (CID 116589560) is 1-(2,3-dihydro-1H-inden-5-yl)-3-(prop-2-ynylamino)propan-2-one.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-3-(prop-2-ynylamino)propan-2-one?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-3-(prop-2-ynylamino)propan-2-one is C#CCNCC(=O)Cc1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-3-(prop-2-ynylamino)propan-2-one?
The InChIKey is VYXWORBTHAHMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-2-8-16-11-15(17)10-12-6-7-13-4-3-5-14(13)9-12/h1,6-7,9,16H,3-5,8,10-11H2.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-3-(prop-2-ynylamino)propan-2-one?
1-(2,3-dihydro-1H-inden-5-yl)-3-(prop-2-ynylamino)propan-2-one has a molecular weight of 227.31 g/mol, XLogP of 1.51, 5 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-ynylamino)propan-2-one is sourced from PubChem (CID 116589560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).