3-(2,3-dihydro-1H-inden-5-yl)butanamide

C13H17NO — CID 82076746

IUPAC3-(2,3-dihydro-1H-inden-5-yl)butanamide
SMILESCC(CC(N)=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C13H17NO/c1-9(7-13(14)15)11-6-5-10-3-2-4-12(10)8-11/h5-6,8-9H,2-4,7H2,1H3,(H2,14,15)
InChIKeyQRYVINHFAUQJHN-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.15
Rot. Bonds3

About 3-(2,3-dihydro-1H-inden-5-yl)butanamide

3-(2,3-dihydro-1H-inden-5-yl)butanamide (PubChem CID 82076746) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-yl)butanamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-yl)butanamide
PubChem CID82076746
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name3-(2,3-dihydro-1H-inden-5-yl)butanamide
SMILESCC(CC(N)=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C13H17NO/c1-9(7-13(14)15)11-6-5-10-3-2-4-12(10)8-11/h5-6,8-9H,2-4,7H2,1H3,(H2,14,15)
InChIKeyQRYVINHFAUQJHN-UHFFFAOYSA-N
XLogP2.15
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
CID 116850923
ethyl 2-(2,3-dihydro-1H-inden-5-yl)propanoate
CID 164900857
1-[(2-methylpropan-2-yl)oxy]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-2-one
CID 159091465
4-amino-1-[3-(2,3-dihydro-1H-inden-5-yl)butanoyl]pyrimidin-2-one
CID 134601591
[(2R)-1-amino-1-oxopropan-2-yl]-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium
CID 8859258
3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2-hydroxypropanamide
CID 114153528
1-(2,3-dihydro-1H-inden-5-yl)-1-hydroxy-3-methylbutan-2-one
CID 116835964
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium
CID 8859206
4-amino-2,2-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 65298814
3-(3,4-dihydro-1H-isochromen-6-yl)butanoic acid
CID 82616230
1-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-1-ol
CID 61087028
2-(2,3-dihydro-1H-inden-5-yloxy)-3-methylbutanamide
CID 82041277

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-yl)butanamide?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-yl)butanamide (CID 82076746) is 3-(2,3-dihydro-1H-inden-5-yl)butanamide.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-yl)butanamide?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-yl)butanamide is CC(CC(N)=O)c1ccc2c(c1)CCC2.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-yl)butanamide?
The InChIKey is QRYVINHFAUQJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-9(7-13(14)15)11-6-5-10-3-2-4-12(10)8-11/h5-6,8-9H,2-4,7H2,1H3,(H2,14,15).
What are the key properties of 3-(2,3-dihydro-1H-inden-5-yl)butanamide?
3-(2,3-dihydro-1H-inden-5-yl)butanamide has a molecular weight of 203.28 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-yl)butanamide is sourced from PubChem (CID 82076746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).