1-(2,3-dihydro-1H-cyclopenta[b]naphthalen-4-yl)ethanone;1-[6-(dimethylamino)-2,3-dihydro-1H-cyclopenta[b]naphthalen-9-yl]ethanone

C32H33NO2 — CID 158462154

IUPAC1-(2,3-dihydro-1H-cyclopenta[b]naphthalen-4-yl)ethanone;1-[6-(dimethylamino)-2,3-dihydro-1H-cyclopenta[b]naphthalen-9-yl]ethanone
SMILESCC(=O)c1c2c(cc3cc(N(C)C)ccc13)CCC2.CC(=O)c1c2c(cc3ccccc13)CCC2
InChIInChI=1S/C17H19NO.C15H14O/c1-11(19)17-15-6-4-5-12(15)9-13-10-14(18(2)3)7-8-16(13)17;1-10(16)15-13-7-3-2-5-11(13)9-12-6-4-8-14(12)15/h7-10H,4-6H2,1-3H3;2-3,5,7,9H,4,6,8H2,1H3
InChIKeyHFHSZWAQSRUCKV-UHFFFAOYSA-N
MW463.62 g/mol
LogP7.13
Rot. Bonds3

About 1-(2,3-dihydro-1H-cyclopenta[b]naphthalen-4-yl)ethanone;1-[6-(dimethylamino)-2,3-dihydro-1H-cyclopenta[b]naphthalen-9-yl]ethanone

1-(2,3-dihydro-1H-cyclopenta[b]naphthalen-4-yl)ethanone;1-[6-(dimethylamino)-2,3-dihydro-1H-cyclopenta[b]naphthalen-9-yl]ethanone (PubChem CID 158462154) has the molecular formula C32H33NO2 and a molecular weight of 463.62 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-cyclopenta[b]naphthalen-4-yl)ethanone;1-[6-(dimethylamino)-2,3-dihydro-1H-cyclopenta[b]naphthalen-9-yl]ethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-cyclopenta[b]naphthalen-4-yl)ethanone;1-[6-(dimethylamino)-2,3-dihydro-1H-cyclopenta[b]naphthalen-9-yl]ethanone
PubChem CID158462154
Molecular FormulaC32H33NO2
Molecular Weight463.62 g/mol
Exact Mass463.25
IUPAC Name1-(2,3-dihydro-1H-cyclopenta[b]naphthalen-4-yl)ethanone;1-[6-(dimethylamino)-2,3-dihydro-1H-cyclopenta[b]naphthalen-9-yl]ethanone
SMILESCC(=O)c1c2c(cc3cc(N(C)C)ccc13)CCC2.CC(=O)c1c2c(cc3ccccc13)CCC2
InChIInChI=1S/C17H19NO.C15H14O/c1-11(19)17-15-6-4-5-12(15)9-13-10-14(18(2)3)7-8-16(13)17;1-10(16)15-13-7-3-2-5-11(13)9-12-6-4-8-14(12)15/h7-10H,4-6H2,1-3H3;2-3,5,7,9H,4,6,8H2,1H3
InChIKeyHFHSZWAQSRUCKV-UHFFFAOYSA-N
XLogP7.13
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.62
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-cyclopenta[b]naphthalen-4-yl)ethanone;1-[6-(dimethylamino)-2,3-dihydro-1H-cyclopenta[b]naphthalen-9-yl]ethanone?
The IUPAC name of 1-(2,3-dihydro-1H-cyclopenta[b]naphthalen-4-yl)ethanone;1-[6-(dimethylamino)-2,3-dihydro-1H-cyclopenta[b]naphthalen-9-yl]ethanone (CID 158462154) is 1-(2,3-dihydro-1H-cyclopenta[b]naphthalen-4-yl)ethanone;1-[6-(dimethylamino)-2,3-dihydro-1H-cyclopenta[b]naphthalen-9-yl]ethanone.
What is the SMILES notation for 1-(2,3-dihydro-1H-cyclopenta[b]naphthalen-4-yl)ethanone;1-[6-(dimethylamino)-2,3-dihydro-1H-cyclopenta[b]naphthalen-9-yl]ethanone?
The canonical SMILES for 1-(2,3-dihydro-1H-cyclopenta[b]naphthalen-4-yl)ethanone;1-[6-(dimethylamino)-2,3-dihydro-1H-cyclopenta[b]naphthalen-9-yl]ethanone is CC(=O)c1c2c(cc3cc(N(C)C)ccc13)CCC2.CC(=O)c1c2c(cc3ccccc13)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-cyclopenta[b]naphthalen-4-yl)ethanone;1-[6-(dimethylamino)-2,3-dihydro-1H-cyclopenta[b]naphthalen-9-yl]ethanone?
The InChIKey is HFHSZWAQSRUCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO.C15H14O/c1-11(19)17-15-6-4-5-12(15)9-13-10-14(18(2)3)7-8-16(13)17;1-10(16)15-13-7-3-2-5-11(13)9-12-6-4-8-14(12)15/h7-10H,4-6H2,1-3H3;2-3,5,7,9H,4,6,8H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-cyclopenta[b]naphthalen-4-yl)ethanone;1-[6-(dimethylamino)-2,3-dihydro-1H-cyclopenta[b]naphthalen-9-yl]ethanone?
1-(2,3-dihydro-1H-cyclopenta[b]naphthalen-4-yl)ethanone;1-[6-(dimethylamino)-2,3-dihydro-1H-cyclopenta[b]naphthalen-9-yl]ethanone has a molecular weight of 463.62 g/mol, XLogP of 7.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-cyclopenta[b]naphthalen-4-yl)ethanone;1-[6-(dimethylamino)-2,3-dihydro-1H-cyclopenta[b]naphthalen-9-yl]ethanone is sourced from PubChem (CID 158462154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).