3-amino-7-propan-2-yl-2,3-dihydroinden-1-one

C12H15NO — CID 130040004

IUPAC3-amino-7-propan-2-yl-2,3-dihydroinden-1-one
SMILESCC(C)c1cccc2c1C(=O)CC2N
InChIInChI=1S/C12H15NO/c1-7(2)8-4-3-5-9-10(13)6-11(14)12(8)9/h3-5,7,10H,6,13H2,1-2H3
InChIKeyDDLYXNJDPWGBKR-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.40
Rot. Bonds1

About 3-amino-7-propan-2-yl-2,3-dihydroinden-1-one

3-amino-7-propan-2-yl-2,3-dihydroinden-1-one (PubChem CID 130040004) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-amino-7-propan-2-yl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name3-amino-7-propan-2-yl-2,3-dihydroinden-1-one
PubChem CID130040004
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name3-amino-7-propan-2-yl-2,3-dihydroinden-1-one
SMILESCC(C)c1cccc2c1C(=O)CC2N
InChIInChI=1S/C12H15NO/c1-7(2)8-4-3-5-9-10(13)6-11(14)12(8)9/h3-5,7,10H,6,13H2,1-2H3
InChIKeyDDLYXNJDPWGBKR-UHFFFAOYSA-N
XLogP2.40
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-7-propan-2-yl-2,3-dihydroinden-1-one?
The IUPAC name of 3-amino-7-propan-2-yl-2,3-dihydroinden-1-one (CID 130040004) is 3-amino-7-propan-2-yl-2,3-dihydroinden-1-one.
What is the SMILES notation for 3-amino-7-propan-2-yl-2,3-dihydroinden-1-one?
The canonical SMILES for 3-amino-7-propan-2-yl-2,3-dihydroinden-1-one is CC(C)c1cccc2c1C(=O)CC2N.
What is the InChIKey of 3-amino-7-propan-2-yl-2,3-dihydroinden-1-one?
The InChIKey is DDLYXNJDPWGBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-7(2)8-4-3-5-9-10(13)6-11(14)12(8)9/h3-5,7,10H,6,13H2,1-2H3.
What are the key properties of 3-amino-7-propan-2-yl-2,3-dihydroinden-1-one?
3-amino-7-propan-2-yl-2,3-dihydroinden-1-one has a molecular weight of 189.26 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7-propan-2-yl-2,3-dihydroinden-1-one is sourced from PubChem (CID 130040004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).