1-(2,3-dihydro-1H-inden-5-ylamino)propan-2-one

C12H15NO — CID 115234414

IUPAC1-(2,3-dihydro-1H-inden-5-ylamino)propan-2-one
SMILESCC(=O)CNc1ccc2c(c1)CCC2
InChIInChI=1S/C12H15NO/c1-9(14)8-13-12-6-5-10-3-2-4-11(10)7-12/h5-7,13H,2-4,8H2,1H3
InChIKeyLMBNJRKPQIGXHZ-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.18
Rot. Bonds3

About 1-(2,3-dihydro-1H-inden-5-ylamino)propan-2-one

1-(2,3-dihydro-1H-inden-5-ylamino)propan-2-one (PubChem CID 115234414) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-ylamino)propan-2-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-ylamino)propan-2-one
PubChem CID115234414
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1-(2,3-dihydro-1H-inden-5-ylamino)propan-2-one
SMILESCC(=O)CNc1ccc2c(c1)CCC2
InChIInChI=1S/C12H15NO/c1-9(14)8-13-12-6-5-10-3-2-4-11(10)7-12/h5-7,13H,2-4,8H2,1H3
InChIKeyLMBNJRKPQIGXHZ-UHFFFAOYSA-N
XLogP2.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1H-inden-5-ylamino)-1-pyrrolidin-1-ylethanone
CID 28578084
N-(2,3-diiminobutyl)-2,3-dihydro-1H-inden-5-amine
CID 143836198
2-(2,3-dihydro-1H-inden-5-ylamino)-N-(2-methylphenyl)acetamide
CID 28578150
1-[4-(2-oxopropylamino)anilino]propan-2-one
CID 141317857
N'-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanediamine
CID 115226489
3-(2,3-dihydro-1H-inden-5-ylamino)-2-methylpropanamide
CID 43312074
3-(2,3-dihydro-1H-inden-5-ylamino)-2-(methylamino)propanoic acid
CID 115255887
2-(2,3-dihydro-1H-inden-5-ylamino)-N-(2-methoxyphenyl)acetamide
CID 43826278
2-(2,3-dihydro-1H-inden-5-ylamino)-2-methylpropanoic acid
CID 114988661
N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 17404195
1-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-ylamino)propan-2-one
CID 154158729
N-[2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]thiophen-3-yl]acetamide
CID 66387299

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylamino)propan-2-one?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylamino)propan-2-one (CID 115234414) is 1-(2,3-dihydro-1H-inden-5-ylamino)propan-2-one.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-ylamino)propan-2-one?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-ylamino)propan-2-one is CC(=O)CNc1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-ylamino)propan-2-one?
The InChIKey is LMBNJRKPQIGXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-9(14)8-13-12-6-5-10-3-2-4-11(10)7-12/h5-7,13H,2-4,8H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-ylamino)propan-2-one?
1-(2,3-dihydro-1H-inden-5-ylamino)propan-2-one has a molecular weight of 189.26 g/mol, XLogP of 2.18, 3 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-ylamino)propan-2-one is sourced from PubChem (CID 115234414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).