N-(2-chloroprop-2-enyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide

C9H10ClN3O3 — CID 115636712

IUPACN-(2-chloroprop-2-enyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide
SMILESC=C(Cl)CNC(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C9H10ClN3O3/c1-6(10)4-11-8(15)5-13-3-2-7(14)12-9(13)16/h2-3H,1,4-5H2,(H,11,15)(H,12,14,16)
InChIKeyKABMGBGBAUAIBM-UHFFFAOYSA-N
MW243.65 g/mol
LogP-0.59
Rot. Bonds4

About N-(2-chloroprop-2-enyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide

N-(2-chloroprop-2-enyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 115636712) has the molecular formula C9H10ClN3O3 and a molecular weight of 243.65 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID115636712
Molecular FormulaC9H10ClN3O3
Molecular Weight243.65 g/mol
Exact Mass243.04
IUPAC NameN-(2-chloroprop-2-enyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide
SMILESC=C(Cl)CNC(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C9H10ClN3O3/c1-6(10)4-11-8(15)5-13-3-2-7(14)12-9(13)16/h2-3H,1,4-5H2,(H,11,15)(H,12,14,16)
InChIKeyKABMGBGBAUAIBM-UHFFFAOYSA-N
XLogP-0.59
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.65
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dioxopyrimidin-1-yl)-N-propylacetamide
CID 30662441
2-(2,4-dioxopyrimidin-1-yl)acetohydrazide
CID 43236986
2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide
CID 60699315
N-cyclopropyl-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 37345436
2-(2,4-dioxopyrimidin-1-yl)-N-[(2S)-2-hydroxypropyl]acetamide
CID 83030551
N-carbamoyl-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 63812524
(2S)-4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-2-hydroxybutanoic acid
CID 107834517
1-[[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113311878
1-[2-(bromomethyl)prop-2-enyl]pyrimidine-2,4-dione
CID 177313030
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 17408562
2-(2,4-dioxopyrimidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 54897021
N-(1H-benzimidazol-2-ylmethyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 146022159

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(2-chloroprop-2-enyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide (CID 115636712) is N-(2-chloroprop-2-enyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(2-chloroprop-2-enyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide is C=C(Cl)CNC(=O)Cn1ccc(=O)[nH]c1=O.
What is the InChIKey of N-(2-chloroprop-2-enyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is KABMGBGBAUAIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O3/c1-6(10)4-11-8(15)5-13-3-2-7(14)12-9(13)16/h2-3H,1,4-5H2,(H,11,15)(H,12,14,16).
What are the key properties of N-(2-chloroprop-2-enyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide?
N-(2-chloroprop-2-enyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 243.65 g/mol, XLogP of -0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 115636712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).