2-(1,2-dihydroacenaphthylen-5-ylamino)acetate

C14H12NO2- — CID 7312561

IUPAC2-(1,2-dihydroacenaphthylen-5-ylamino)acetate
SMILESO=C([O-])CNc1ccc2c3c(cccc13)CC2
InChIInChI=1S/C14H13NO2/c16-13(17)8-15-12-7-6-10-5-4-9-2-1-3-11(12)14(9)10/h1-3,6-7,15H,4-5,8H2,(H,16,17)/p-1
InChIKeyMKCYNNHVLHLGCZ-UHFFFAOYSA-M
MW226.25 g/mol
LogP1.10
Rot. Bonds3

About 2-(1,2-dihydroacenaphthylen-5-ylamino)acetate

2-(1,2-dihydroacenaphthylen-5-ylamino)acetate (PubChem CID 7312561) has the molecular formula C14H12NO2- and a molecular weight of 226.25 g/mol. Its IUPAC name is 2-(1,2-dihydroacenaphthylen-5-ylamino)acetate.

Molecular Properties

Compound Name2-(1,2-dihydroacenaphthylen-5-ylamino)acetate
PubChem CID7312561
Molecular FormulaC14H12NO2-
Molecular Weight226.25 g/mol
Exact Mass226.09
IUPAC Name2-(1,2-dihydroacenaphthylen-5-ylamino)acetate
SMILESO=C([O-])CNc1ccc2c3c(cccc13)CC2
InChIInChI=1S/C14H13NO2/c16-13(17)8-15-12-7-6-10-5-4-9-2-1-3-11(12)14(9)10/h1-3,6-7,15H,4-5,8H2,(H,16,17)/p-1
InChIKeyMKCYNNHVLHLGCZ-UHFFFAOYSA-M
XLogP1.10
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(2-iodophenyl)acetamide
CID 24562392
2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(phenylcarbamoyl)acetamide
CID 18144257
2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(2-methoxyphenyl)acetamide
CID 35811813
N-cyclopropyl-2-[[2-(1,2-dihydroacenaphthylen-5-ylamino)acetyl]amino]benzamide
CID 35812185
N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-nitrophenyl)acetamide
CID 23875149
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1,2-dihydroacenaphthylen-5-ylamino)acetamide
CID 16576546
2-(1,2-dihydroacenaphthylen-5-ylamino)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide
CID 112804434
2-[(1,2-dihydroacenaphthylen-5-ylamino)methylidene]propanedinitrile
CID 47130083
N-(cyclopropylmethyl)-N'-(1,2-dihydroacenaphthylen-5-yl)oxamide
CID 75403476
7-amino-N-(1,2-dihydroacenaphthylen-5-yl)heptanamide
CID 119697802
N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-2,2-dimethylpropanamide
CID 17099764
1,2-dihydroacenaphthylen-5-ylthiourea
CID 851719

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydroacenaphthylen-5-ylamino)acetate?
The IUPAC name of 2-(1,2-dihydroacenaphthylen-5-ylamino)acetate (CID 7312561) is 2-(1,2-dihydroacenaphthylen-5-ylamino)acetate.
What is the SMILES notation for 2-(1,2-dihydroacenaphthylen-5-ylamino)acetate?
The canonical SMILES for 2-(1,2-dihydroacenaphthylen-5-ylamino)acetate is O=C([O-])CNc1ccc2c3c(cccc13)CC2.
What is the InChIKey of 2-(1,2-dihydroacenaphthylen-5-ylamino)acetate?
The InChIKey is MKCYNNHVLHLGCZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H13NO2/c16-13(17)8-15-12-7-6-10-5-4-9-2-1-3-11(12)14(9)10/h1-3,6-7,15H,4-5,8H2,(H,16,17)/p-1.
What are the key properties of 2-(1,2-dihydroacenaphthylen-5-ylamino)acetate?
2-(1,2-dihydroacenaphthylen-5-ylamino)acetate has a molecular weight of 226.25 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydroacenaphthylen-5-ylamino)acetate is sourced from PubChem (CID 7312561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).