5-(cyclopropylamino)-2,3-dihydroinden-1-one

C12H13NO — CID 83817707

IUPAC5-(cyclopropylamino)-2,3-dihydroinden-1-one
SMILESO=C1CCc2cc(NC3CC3)ccc21
InChIInChI=1S/C12H13NO/c14-12-6-1-8-7-10(4-5-11(8)12)13-9-2-3-9/h4-5,7,9,13H,1-3,6H2
InChIKeyDPJPPGJGXJWEFB-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.39
Rot. Bonds2

About 5-(cyclopropylamino)-2,3-dihydroinden-1-one

5-(cyclopropylamino)-2,3-dihydroinden-1-one (PubChem CID 83817707) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 5-(cyclopropylamino)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-(cyclopropylamino)-2,3-dihydroinden-1-one
PubChem CID83817707
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name5-(cyclopropylamino)-2,3-dihydroinden-1-one
SMILESO=C1CCc2cc(NC3CC3)ccc21
InChIInChI=1S/C12H13NO/c14-12-6-1-8-7-10(4-5-11(8)12)13-9-2-3-9/h4-5,7,9,13H,1-3,6H2
InChIKeyDPJPPGJGXJWEFB-UHFFFAOYSA-N
XLogP2.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylamino)-2,3-dihydroinden-1-one?
The IUPAC name of 5-(cyclopropylamino)-2,3-dihydroinden-1-one (CID 83817707) is 5-(cyclopropylamino)-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-(cyclopropylamino)-2,3-dihydroinden-1-one?
The canonical SMILES for 5-(cyclopropylamino)-2,3-dihydroinden-1-one is O=C1CCc2cc(NC3CC3)ccc21.
What is the InChIKey of 5-(cyclopropylamino)-2,3-dihydroinden-1-one?
The InChIKey is DPJPPGJGXJWEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c14-12-6-1-8-7-10(4-5-11(8)12)13-9-2-3-9/h4-5,7,9,13H,1-3,6H2.
What are the key properties of 5-(cyclopropylamino)-2,3-dihydroinden-1-one?
5-(cyclopropylamino)-2,3-dihydroinden-1-one has a molecular weight of 187.24 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylamino)-2,3-dihydroinden-1-one is sourced from PubChem (CID 83817707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).