N-[3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enyl]acetamide

C9H11N3O3 — CID 169465111

IUPACN-[3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1c(O)nc[nH]c1=O
InChIInChI=1S/C9H11N3O3/c1-6(13)10-4-2-3-7-8(14)11-5-12-9(7)15/h2-3,5H,4H2,1H3,(H,10,13)(H2,11,12,14,15)
InChIKeyBENQJQZMSJNDJP-UHFFFAOYSA-N
MW209.21 g/mol
LogP-0.38
Rot. Bonds3

About N-[3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enyl]acetamide

N-[3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enyl]acetamide (PubChem CID 169465111) has the molecular formula C9H11N3O3 and a molecular weight of 209.21 g/mol. Its IUPAC name is N-[3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enyl]acetamide
PubChem CID169465111
Molecular FormulaC9H11N3O3
Molecular Weight209.21 g/mol
Exact Mass209.08
IUPAC NameN-[3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1c(O)nc[nH]c1=O
InChIInChI=1S/C9H11N3O3/c1-6(13)10-4-2-3-7-8(14)11-5-12-9(7)15/h2-3,5H,4H2,1H3,(H,10,13)(H2,11,12,14,15)
InChIKeyBENQJQZMSJNDJP-UHFFFAOYSA-N
XLogP-0.38
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]prop-2-enyl]acetamide
CID 169466068
N-[4-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]but-3-enyl]acetamide
CID 170489291
4-amino-5-[(E)-2-(1,2-dihydropyridin-5-yl)ethenyl]-1H-pyrimidin-6-one
CID 143068559
9-acetyl-7,8-dihydro-3H-pyrimido[4,5-b]azepin-4-one
CID 159064120
5-[(Z)-but-1-enyl]-4-(methylamino)-1H-pyrimidin-6-one
CID 169646294
5-[(E)-prop-1-enyl]-1H-pyrimidin-6-one
CID 176389183
6-hydroxy-N-(2-(5-methyl-6-oxopyrimidin-1(6H)-yl)ethyl)nicotinamide
CID 121121114
1-[(Z,2E)-2-ethylidenehex-3-enyl]-N-methyl-6-oxopyrimidine-5-carboxamide
CID 143596641
5-(3-azidoprop-1-enyl)-4-hydroxy-1H-pyrimidin-6-one
CID 169461444
5-(3-aminoprop-1-enyl)-1H-pyrimidin-6-one
CID 169463105
5-(3-aminoprop-1-enyl)-4-hydroxy-1H-pyrimidin-6-one
CID 169463272
N-[3-(6-oxo-1H-pyrimidin-5-yl)prop-2-enyl]acetamide
CID 169464888

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enyl]acetamide?
The IUPAC name of N-[3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enyl]acetamide (CID 169465111) is N-[3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enyl]acetamide?
The canonical SMILES for N-[3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enyl]acetamide is CC(=O)NCC=Cc1c(O)nc[nH]c1=O.
What is the InChIKey of N-[3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enyl]acetamide?
The InChIKey is BENQJQZMSJNDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-6(13)10-4-2-3-7-8(14)11-5-12-9(7)15/h2-3,5H,4H2,1H3,(H,10,13)(H2,11,12,14,15).
What are the key properties of N-[3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enyl]acetamide?
N-[3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enyl]acetamide has a molecular weight of 209.21 g/mol, XLogP of -0.38, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enyl]acetamide is sourced from PubChem (CID 169465111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).