N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(2-oxopyrimidin-1-yl)acetamide

C15H15N3O3 — CID 103869671

IUPACN-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(2-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cccnc1=O)N[C@H]1c2ccccc2C[C@H]1O
InChIInChI=1S/C15H15N3O3/c19-12-8-10-4-1-2-5-11(10)14(12)17-13(20)9-18-7-3-6-16-15(18)21/h1-7,12,14,19H,8-9H2,(H,17,20)/t12-,14+/m1/s1
InChIKeyIWXHSEXHPKCORW-OCCSQVGLSA-N
MW285.30 g/mol
LogP0.02
Rot. Bonds3

About N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(2-oxopyrimidin-1-yl)acetamide

N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(2-oxopyrimidin-1-yl)acetamide (PubChem CID 103869671) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(2-oxopyrimidin-1-yl)acetamide
PubChem CID103869671
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC NameN-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(2-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cccnc1=O)N[C@H]1c2ccccc2C[C@H]1O
InChIInChI=1S/C15H15N3O3/c19-12-8-10-4-1-2-5-11(10)14(12)17-13(20)9-18-7-3-6-16-15(18)21/h1-7,12,14,19H,8-9H2,(H,17,20)/t12-,14+/m1/s1
InChIKeyIWXHSEXHPKCORW-OCCSQVGLSA-N
XLogP0.02
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(2-oxopyrimidin-1-yl)acetamide (CID 103869671) is N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(2-oxopyrimidin-1-yl)acetamide is O=C(Cn1cccnc1=O)N[C@H]1c2ccccc2C[C@H]1O.
What is the InChIKey of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(2-oxopyrimidin-1-yl)acetamide?
The InChIKey is IWXHSEXHPKCORW-OCCSQVGLSA-N. The full InChI is InChI=1S/C15H15N3O3/c19-12-8-10-4-1-2-5-11(10)14(12)17-13(20)9-18-7-3-6-16-15(18)21/h1-7,12,14,19H,8-9H2,(H,17,20)/t12-,14+/m1/s1.
What are the key properties of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(2-oxopyrimidin-1-yl)acetamide?
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(2-oxopyrimidin-1-yl)acetamide has a molecular weight of 285.30 g/mol, XLogP of 0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 103869671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).