N-(1,2-dihydroacenaphthylen-1-ylmethyl)propanamide

C16H17NO — CID 10561982

IUPACN-(1,2-dihydroacenaphthylen-1-ylmethyl)propanamide
SMILESCCC(=O)NCC1Cc2cccc3cccc1c23
InChIInChI=1S/C16H17NO/c1-2-15(18)17-10-13-9-12-7-3-5-11-6-4-8-14(13)16(11)12/h3-8,13H,2,9-10H2,1H3,(H,17,18)
InChIKeyVBOUBBFDMXCSFH-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.01
Rot. Bonds3

About N-(1,2-dihydroacenaphthylen-1-ylmethyl)propanamide

N-(1,2-dihydroacenaphthylen-1-ylmethyl)propanamide (PubChem CID 10561982) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(1,2-dihydroacenaphthylen-1-ylmethyl)propanamide.

Molecular Properties

Compound NameN-(1,2-dihydroacenaphthylen-1-ylmethyl)propanamide
PubChem CID10561982
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC NameN-(1,2-dihydroacenaphthylen-1-ylmethyl)propanamide
SMILESCCC(=O)NCC1Cc2cccc3cccc1c23
InChIInChI=1S/C16H17NO/c1-2-15(18)17-10-13-9-12-7-3-5-11-6-4-8-14(13)16(11)12/h3-8,13H,2,9-10H2,1H3,(H,17,18)
InChIKeyVBOUBBFDMXCSFH-UHFFFAOYSA-N
XLogP3.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydroacenaphthylen-1-ylmethyl)propanamide?
The IUPAC name of N-(1,2-dihydroacenaphthylen-1-ylmethyl)propanamide (CID 10561982) is N-(1,2-dihydroacenaphthylen-1-ylmethyl)propanamide.
What is the SMILES notation for N-(1,2-dihydroacenaphthylen-1-ylmethyl)propanamide?
The canonical SMILES for N-(1,2-dihydroacenaphthylen-1-ylmethyl)propanamide is CCC(=O)NCC1Cc2cccc3cccc1c23.
What is the InChIKey of N-(1,2-dihydroacenaphthylen-1-ylmethyl)propanamide?
The InChIKey is VBOUBBFDMXCSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-2-15(18)17-10-13-9-12-7-3-5-11-6-4-8-14(13)16(11)12/h3-8,13H,2,9-10H2,1H3,(H,17,18).
What are the key properties of N-(1,2-dihydroacenaphthylen-1-ylmethyl)propanamide?
N-(1,2-dihydroacenaphthylen-1-ylmethyl)propanamide has a molecular weight of 239.32 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dihydroacenaphthylen-1-ylmethyl)propanamide is sourced from PubChem (CID 10561982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).