N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(2,4-dioxopyrimidin-1-yl)acetamide

C15H15N3O3 — CID 51642054

IUPACN-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)N[C@H]1CCc2ccccc21
InChIInChI=1S/C15H15N3O3/c19-13-7-8-18(15(21)17-13)9-14(20)16-12-6-5-10-3-1-2-4-11(10)12/h1-4,7-8,12H,5-6,9H2,(H,16,20)(H,17,19,21)/t12-/m0/s1
InChIKeyPNVAZEMXCFJWRM-LBPRGKRZSA-N
MW285.30 g/mol
LogP0.34
Rot. Bonds3

About N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(2,4-dioxopyrimidin-1-yl)acetamide

N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 51642054) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID51642054
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)N[C@H]1CCc2ccccc21
InChIInChI=1S/C15H15N3O3/c19-13-7-8-18(15(21)17-13)9-14(20)16-12-6-5-10-3-1-2-4-11(10)12/h1-4,7-8,12H,5-6,9H2,(H,16,20)(H,17,19,21)/t12-/m0/s1
InChIKeyPNVAZEMXCFJWRM-LBPRGKRZSA-N
XLogP0.34
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 37345436
N-(2,3-dihydro-1H-inden-1-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 51273562
N-(2,3-dihydro-1H-inden-1-yl)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
CID 17464756
N-(2,3-dihydro-1H-inden-1-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 51273612
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 24895519
2-(2,4-dioxopyrimidin-1-yl)-N-spiro[3,4-dihydrochromene-2,4'-oxane]-4-ylacetamide
CID 110213408
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 94491684
2-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7819453
N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 136586428
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 37495697
2-(2,4-dioxopyrimidin-1-yl)-N-[(2R,4R)-1'-ethyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl]acetamide
CID 95794775
N-(2,3-dihydro-1H-inden-1-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
CID 51101004

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(2,4-dioxopyrimidin-1-yl)acetamide (CID 51642054) is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(2,4-dioxopyrimidin-1-yl)acetamide is O=C(Cn1ccc(=O)[nH]c1=O)N[C@H]1CCc2ccccc21.
What is the InChIKey of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is PNVAZEMXCFJWRM-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H15N3O3/c19-13-7-8-18(15(21)17-13)9-14(20)16-12-6-5-10-3-1-2-4-11(10)12/h1-4,7-8,12H,5-6,9H2,(H,16,20)(H,17,19,21)/t12-/m0/s1.
What are the key properties of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(2,4-dioxopyrimidin-1-yl)acetamide?
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 285.30 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 51642054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).