N-[2-(1,2-dihydroacenaphthylen-1-yl)ethyl]propanamide

C17H19NO — CID 10729569

IUPACN-[2-(1,2-dihydroacenaphthylen-1-yl)ethyl]propanamide
SMILESCCC(=O)NCCC1Cc2cccc3cccc1c23
InChIInChI=1S/C17H19NO/c1-2-16(19)18-10-9-13-11-14-7-3-5-12-6-4-8-15(13)17(12)14/h3-8,13H,2,9-11H2,1H3,(H,18,19)
InChIKeyGVRNXAIGBGHIGO-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.40
Rot. Bonds4

About N-[2-(1,2-dihydroacenaphthylen-1-yl)ethyl]propanamide

N-[2-(1,2-dihydroacenaphthylen-1-yl)ethyl]propanamide (PubChem CID 10729569) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is N-[2-(1,2-dihydroacenaphthylen-1-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(1,2-dihydroacenaphthylen-1-yl)ethyl]propanamide
PubChem CID10729569
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC NameN-[2-(1,2-dihydroacenaphthylen-1-yl)ethyl]propanamide
SMILESCCC(=O)NCCC1Cc2cccc3cccc1c23
InChIInChI=1S/C17H19NO/c1-2-16(19)18-10-9-13-11-14-7-3-5-12-6-4-8-15(13)17(12)14/h3-8,13H,2,9-11H2,1H3,(H,18,19)
InChIKeyGVRNXAIGBGHIGO-UHFFFAOYSA-N
XLogP3.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2-dihydroacenaphthylen-1-yl)ethyl]propanamide?
The IUPAC name of N-[2-(1,2-dihydroacenaphthylen-1-yl)ethyl]propanamide (CID 10729569) is N-[2-(1,2-dihydroacenaphthylen-1-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(1,2-dihydroacenaphthylen-1-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(1,2-dihydroacenaphthylen-1-yl)ethyl]propanamide is CCC(=O)NCCC1Cc2cccc3cccc1c23.
What is the InChIKey of N-[2-(1,2-dihydroacenaphthylen-1-yl)ethyl]propanamide?
The InChIKey is GVRNXAIGBGHIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-2-16(19)18-10-9-13-11-14-7-3-5-12-6-4-8-15(13)17(12)14/h3-8,13H,2,9-11H2,1H3,(H,18,19).
What are the key properties of N-[2-(1,2-dihydroacenaphthylen-1-yl)ethyl]propanamide?
N-[2-(1,2-dihydroacenaphthylen-1-yl)ethyl]propanamide has a molecular weight of 253.34 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2-dihydroacenaphthylen-1-yl)ethyl]propanamide is sourced from PubChem (CID 10729569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).