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

C11H13NO — CID 90845496

IUPAC1-(3-amino-2,3-dihydro-1H-inden-5-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)C(N)CC2
InChIInChI=1S/C11H13NO/c1-7(13)9-3-2-8-4-5-11(12)10(8)6-9/h2-3,6,11H,4-5,12H2,1H3
InChIKeyVXQURTZQAQADKR-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.84
Rot. Bonds1

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

1-(3-amino-2,3-dihydro-1H-inden-5-yl)ethanone (PubChem CID 90845496) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 1-(3-amino-2,3-dihydro-1H-inden-5-yl)ethanone.

Molecular Properties

Compound Name1-(3-amino-2,3-dihydro-1H-inden-5-yl)ethanone
PubChem CID90845496
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name1-(3-amino-2,3-dihydro-1H-inden-5-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)C(N)CC2
InChIInChI=1S/C11H13NO/c1-7(13)9-3-2-8-4-5-11(12)10(8)6-9/h2-3,6,11H,4-5,12H2,1H3
InChIKeyVXQURTZQAQADKR-UHFFFAOYSA-N
XLogP1.84
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 3-amino-2,3-dihydro-1H-indene-5-carboxylate
CID 66825919
1-[(5S)-5-amino-5,6,7,8-tetrahydronaphthalen-2-yl]ethanone
CID 130615296
1-(3-propan-2-yl-2,3-dihydro-1H-inden-5-yl)ethanone
CID 72607705
1-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 58246462
6-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 50988168
N-[(1R)-1-amino-2,3-dihydro-1H-inden-5-yl]acetamide
CID 55277889
methyl 2-(3-amino-2,3-dihydro-1H-inden-5-yl)acetate
CID 59505660
N'-(3-amino-2,3-dihydro-1H-inden-5-yl)-N,N-dimethylethanimidamide
CID 21338580
1-amino-6-methyl-2,3-dihydro-1H-indene-5-carboxylic acid
CID 55272682
1-(5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 58246497
4-(8-amino-5,6,7,8-tetrahydronaphthalen-2-yl)benzoic acid
CID 82541831
6-methoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 18627821

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2,3-dihydro-1H-inden-5-yl)ethanone?
The IUPAC name of 1-(3-amino-2,3-dihydro-1H-inden-5-yl)ethanone (CID 90845496) is 1-(3-amino-2,3-dihydro-1H-inden-5-yl)ethanone.
What is the SMILES notation for 1-(3-amino-2,3-dihydro-1H-inden-5-yl)ethanone?
The canonical SMILES for 1-(3-amino-2,3-dihydro-1H-inden-5-yl)ethanone is CC(=O)c1ccc2c(c1)C(N)CC2.
What is the InChIKey of 1-(3-amino-2,3-dihydro-1H-inden-5-yl)ethanone?
The InChIKey is VXQURTZQAQADKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-7(13)9-3-2-8-4-5-11(12)10(8)6-9/h2-3,6,11H,4-5,12H2,1H3.
What are the key properties of 1-(3-amino-2,3-dihydro-1H-inden-5-yl)ethanone?
1-(3-amino-2,3-dihydro-1H-inden-5-yl)ethanone has a molecular weight of 175.23 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2,3-dihydro-1H-inden-5-yl)ethanone is sourced from PubChem (CID 90845496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).