3-ethyl-5,5,8,8-tetramethyl-7-propyl-6-pyrrolidin-1-yl-6,7-dihydro-1H-naphthalen-2-one

C23H37NO — CID 67601636

IUPAC3-ethyl-5,5,8,8-tetramethyl-7-propyl-6-pyrrolidin-1-yl-6,7-dihydro-1H-naphthalen-2-one
SMILESCCCC1C(N2CCCC2)C(C)(C)C2=C(CC(=O)C(CC)=C2)C1(C)C
InChIInChI=1S/C23H37NO/c1-7-11-17-21(24-12-9-10-13-24)23(5,6)18-14-16(8-2)20(25)15-19(18)22(17,3)4/h14,17,21H,7-13,15H2,1-6H3
InChIKeyMBMAAFDTYLFLTK-UHFFFAOYSA-N
MW343.56 g/mol
LogP5.54
Rot. Bonds4

About 3-ethyl-5,5,8,8-tetramethyl-7-propyl-6-pyrrolidin-1-yl-6,7-dihydro-1H-naphthalen-2-one

3-ethyl-5,5,8,8-tetramethyl-7-propyl-6-pyrrolidin-1-yl-6,7-dihydro-1H-naphthalen-2-one (PubChem CID 67601636) has the molecular formula C23H37NO and a molecular weight of 343.56 g/mol. Its IUPAC name is 3-ethyl-5,5,8,8-tetramethyl-7-propyl-6-pyrrolidin-1-yl-6,7-dihydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name3-ethyl-5,5,8,8-tetramethyl-7-propyl-6-pyrrolidin-1-yl-6,7-dihydro-1H-naphthalen-2-one
PubChem CID67601636
Molecular FormulaC23H37NO
Molecular Weight343.56 g/mol
Exact Mass343.29
IUPAC Name3-ethyl-5,5,8,8-tetramethyl-7-propyl-6-pyrrolidin-1-yl-6,7-dihydro-1H-naphthalen-2-one
SMILESCCCC1C(N2CCCC2)C(C)(C)C2=C(CC(=O)C(CC)=C2)C1(C)C
InChIInChI=1S/C23H37NO/c1-7-11-17-21(24-12-9-10-13-24)23(5,6)18-14-16(8-2)20(25)15-19(18)22(17,3)4/h14,17,21H,7-13,15H2,1-6H3
InChIKeyMBMAAFDTYLFLTK-UHFFFAOYSA-N
XLogP5.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.56
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5,5,8,8-tetramethyl-7-propyl-6-pyrrolidin-1-yl-6,7-dihydro-1H-naphthalen-2-one?
The IUPAC name of 3-ethyl-5,5,8,8-tetramethyl-7-propyl-6-pyrrolidin-1-yl-6,7-dihydro-1H-naphthalen-2-one (CID 67601636) is 3-ethyl-5,5,8,8-tetramethyl-7-propyl-6-pyrrolidin-1-yl-6,7-dihydro-1H-naphthalen-2-one.
What is the SMILES notation for 3-ethyl-5,5,8,8-tetramethyl-7-propyl-6-pyrrolidin-1-yl-6,7-dihydro-1H-naphthalen-2-one?
The canonical SMILES for 3-ethyl-5,5,8,8-tetramethyl-7-propyl-6-pyrrolidin-1-yl-6,7-dihydro-1H-naphthalen-2-one is CCCC1C(N2CCCC2)C(C)(C)C2=C(CC(=O)C(CC)=C2)C1(C)C.
What is the InChIKey of 3-ethyl-5,5,8,8-tetramethyl-7-propyl-6-pyrrolidin-1-yl-6,7-dihydro-1H-naphthalen-2-one?
The InChIKey is MBMAAFDTYLFLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37NO/c1-7-11-17-21(24-12-9-10-13-24)23(5,6)18-14-16(8-2)20(25)15-19(18)22(17,3)4/h14,17,21H,7-13,15H2,1-6H3.
What are the key properties of 3-ethyl-5,5,8,8-tetramethyl-7-propyl-6-pyrrolidin-1-yl-6,7-dihydro-1H-naphthalen-2-one?
3-ethyl-5,5,8,8-tetramethyl-7-propyl-6-pyrrolidin-1-yl-6,7-dihydro-1H-naphthalen-2-one has a molecular weight of 343.56 g/mol, XLogP of 5.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5,5,8,8-tetramethyl-7-propyl-6-pyrrolidin-1-yl-6,7-dihydro-1H-naphthalen-2-one is sourced from PubChem (CID 67601636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).