1-[6-(dimethylamino)-2,3-dihydro-1H-cyclopenta[b]naphthalen-4-yl]ethanone

C17H19NO — CID 71729794

IUPAC1-[6-(dimethylamino)-2,3-dihydro-1H-cyclopenta[b]naphthalen-4-yl]ethanone
SMILESCC(=O)c1c2c(cc3ccc(N(C)C)cc13)CCC2
InChIInChI=1S/C17H19NO/c1-11(19)17-15-6-4-5-12(15)9-13-7-8-14(18(2)3)10-16(13)17/h7-10H,4-6H2,1-3H3
InChIKeyADMFWOMEBJXBJS-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.60
Rot. Bonds2

About 1-[6-(dimethylamino)-2,3-dihydro-1H-cyclopenta[b]naphthalen-4-yl]ethanone

1-[6-(dimethylamino)-2,3-dihydro-1H-cyclopenta[b]naphthalen-4-yl]ethanone (PubChem CID 71729794) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-[6-(dimethylamino)-2,3-dihydro-1H-cyclopenta[b]naphthalen-4-yl]ethanone.

Molecular Properties

Compound Name1-[6-(dimethylamino)-2,3-dihydro-1H-cyclopenta[b]naphthalen-4-yl]ethanone
PubChem CID71729794
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name1-[6-(dimethylamino)-2,3-dihydro-1H-cyclopenta[b]naphthalen-4-yl]ethanone
SMILESCC(=O)c1c2c(cc3ccc(N(C)C)cc13)CCC2
InChIInChI=1S/C17H19NO/c1-11(19)17-15-6-4-5-12(15)9-13-7-8-14(18(2)3)10-16(13)17/h7-10H,4-6H2,1-3H3
InChIKeyADMFWOMEBJXBJS-UHFFFAOYSA-N
XLogP3.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(dimethylamino)-2,3-dihydro-1H-cyclopenta[b]naphthalen-4-yl]ethanone?
The IUPAC name of 1-[6-(dimethylamino)-2,3-dihydro-1H-cyclopenta[b]naphthalen-4-yl]ethanone (CID 71729794) is 1-[6-(dimethylamino)-2,3-dihydro-1H-cyclopenta[b]naphthalen-4-yl]ethanone.
What is the SMILES notation for 1-[6-(dimethylamino)-2,3-dihydro-1H-cyclopenta[b]naphthalen-4-yl]ethanone?
The canonical SMILES for 1-[6-(dimethylamino)-2,3-dihydro-1H-cyclopenta[b]naphthalen-4-yl]ethanone is CC(=O)c1c2c(cc3ccc(N(C)C)cc13)CCC2.
What is the InChIKey of 1-[6-(dimethylamino)-2,3-dihydro-1H-cyclopenta[b]naphthalen-4-yl]ethanone?
The InChIKey is ADMFWOMEBJXBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-11(19)17-15-6-4-5-12(15)9-13-7-8-14(18(2)3)10-16(13)17/h7-10H,4-6H2,1-3H3.
What are the key properties of 1-[6-(dimethylamino)-2,3-dihydro-1H-cyclopenta[b]naphthalen-4-yl]ethanone?
1-[6-(dimethylamino)-2,3-dihydro-1H-cyclopenta[b]naphthalen-4-yl]ethanone has a molecular weight of 253.34 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(dimethylamino)-2,3-dihydro-1H-cyclopenta[b]naphthalen-4-yl]ethanone is sourced from PubChem (CID 71729794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).