N-(1,2-dihydroacenaphthylen-5-yl)-2-methylpropanamide

C16H17NO — CID 879632

IUPACN-(1,2-dihydroacenaphthylen-5-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc2c3c(cccc13)CC2
InChIInChI=1S/C16H17NO/c1-10(2)16(18)17-14-9-8-12-7-6-11-4-3-5-13(14)15(11)12/h3-5,8-10H,6-7H2,1-2H3,(H,17,18)
InChIKeyMCTCYCJSZVAUOX-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.53
Rot. Bonds2

About N-(1,2-dihydroacenaphthylen-5-yl)-2-methylpropanamide

N-(1,2-dihydroacenaphthylen-5-yl)-2-methylpropanamide (PubChem CID 879632) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(1,2-dihydroacenaphthylen-5-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(1,2-dihydroacenaphthylen-5-yl)-2-methylpropanamide
PubChem CID879632
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC NameN-(1,2-dihydroacenaphthylen-5-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc2c3c(cccc13)CC2
InChIInChI=1S/C16H17NO/c1-10(2)16(18)17-14-9-8-12-7-6-11-4-3-5-13(14)15(11)12/h3-5,8-10H,6-7H2,1-2H3,(H,17,18)
InChIKeyMCTCYCJSZVAUOX-UHFFFAOYSA-N
XLogP3.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.53
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-5-yl)-2-methylpropanamide?
The IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-2-methylpropanamide (CID 879632) is N-(1,2-dihydroacenaphthylen-5-yl)-2-methylpropanamide.
What is the SMILES notation for N-(1,2-dihydroacenaphthylen-5-yl)-2-methylpropanamide?
The canonical SMILES for N-(1,2-dihydroacenaphthylen-5-yl)-2-methylpropanamide is CC(C)C(=O)Nc1ccc2c3c(cccc13)CC2.
What is the InChIKey of N-(1,2-dihydroacenaphthylen-5-yl)-2-methylpropanamide?
The InChIKey is MCTCYCJSZVAUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-10(2)16(18)17-14-9-8-12-7-6-11-4-3-5-13(14)15(11)12/h3-5,8-10H,6-7H2,1-2H3,(H,17,18).
What are the key properties of N-(1,2-dihydroacenaphthylen-5-yl)-2-methylpropanamide?
N-(1,2-dihydroacenaphthylen-5-yl)-2-methylpropanamide has a molecular weight of 239.32 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dihydroacenaphthylen-5-yl)-2-methylpropanamide is sourced from PubChem (CID 879632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).