2-anilino-1-(3H-inden-1-yl)propan-1-one

C18H17NO — CID 90306934

IUPAC2-anilino-1-(3H-inden-1-yl)propan-1-one
SMILESCC(Nc1ccccc1)C(=O)C1=CCc2ccccc21
InChIInChI=1S/C18H17NO/c1-13(19-15-8-3-2-4-9-15)18(20)17-12-11-14-7-5-6-10-16(14)17/h2-10,12-13,19H,11H2,1H3
InChIKeyRVJJNNAFSGLHPR-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.70
Rot. Bonds4

About 2-anilino-1-(3H-inden-1-yl)propan-1-one

2-anilino-1-(3H-inden-1-yl)propan-1-one (PubChem CID 90306934) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-anilino-1-(3H-inden-1-yl)propan-1-one.

Molecular Properties

Compound Name2-anilino-1-(3H-inden-1-yl)propan-1-one
PubChem CID90306934
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name2-anilino-1-(3H-inden-1-yl)propan-1-one
SMILESCC(Nc1ccccc1)C(=O)C1=CCc2ccccc21
InChIInChI=1S/C18H17NO/c1-13(19-15-8-3-2-4-9-15)18(20)17-12-11-14-7-5-6-10-16(14)17/h2-10,12-13,19H,11H2,1H3
InChIKeyRVJJNNAFSGLHPR-UHFFFAOYSA-N
XLogP3.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-1-(3H-inden-1-yl)propan-1-one?
The IUPAC name of 2-anilino-1-(3H-inden-1-yl)propan-1-one (CID 90306934) is 2-anilino-1-(3H-inden-1-yl)propan-1-one.
What is the SMILES notation for 2-anilino-1-(3H-inden-1-yl)propan-1-one?
The canonical SMILES for 2-anilino-1-(3H-inden-1-yl)propan-1-one is CC(Nc1ccccc1)C(=O)C1=CCc2ccccc21.
What is the InChIKey of 2-anilino-1-(3H-inden-1-yl)propan-1-one?
The InChIKey is RVJJNNAFSGLHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-13(19-15-8-3-2-4-9-15)18(20)17-12-11-14-7-5-6-10-16(14)17/h2-10,12-13,19H,11H2,1H3.
What are the key properties of 2-anilino-1-(3H-inden-1-yl)propan-1-one?
2-anilino-1-(3H-inden-1-yl)propan-1-one has a molecular weight of 263.34 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-1-(3H-inden-1-yl)propan-1-one is sourced from PubChem (CID 90306934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).