N-[3-(2-oxopyrimidin-1-yl)propyl]prop-2-enamide

C10H13N3O2 — CID 146106037

IUPACN-[3-(2-oxopyrimidin-1-yl)propyl]prop-2-enamide
SMILESC=CC(=O)NCCCn1cccnc1=O
InChIInChI=1S/C10H13N3O2/c1-2-9(14)11-5-3-7-13-8-4-6-12-10(13)15/h2,4,6,8H,1,3,5,7H2,(H,11,14)
InChIKeyKSIRHFILCBYXDX-UHFFFAOYSA-N
MW207.23 g/mol
LogP-0.06
Rot. Bonds5

About N-[3-(2-oxopyrimidin-1-yl)propyl]prop-2-enamide

N-[3-(2-oxopyrimidin-1-yl)propyl]prop-2-enamide (PubChem CID 146106037) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is N-[3-(2-oxopyrimidin-1-yl)propyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-(2-oxopyrimidin-1-yl)propyl]prop-2-enamide
PubChem CID146106037
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC NameN-[3-(2-oxopyrimidin-1-yl)propyl]prop-2-enamide
SMILESC=CC(=O)NCCCn1cccnc1=O
InChIInChI=1S/C10H13N3O2/c1-2-9(14)11-5-3-7-13-8-4-6-12-10(13)15/h2,4,6,8H,1,3,5,7H2,(H,11,14)
InChIKeyKSIRHFILCBYXDX-UHFFFAOYSA-N
XLogP-0.06
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopyrimidin-1-yl)propyl]prop-2-enamide?
The IUPAC name of N-[3-(2-oxopyrimidin-1-yl)propyl]prop-2-enamide (CID 146106037) is N-[3-(2-oxopyrimidin-1-yl)propyl]prop-2-enamide.
What is the SMILES notation for N-[3-(2-oxopyrimidin-1-yl)propyl]prop-2-enamide?
The canonical SMILES for N-[3-(2-oxopyrimidin-1-yl)propyl]prop-2-enamide is C=CC(=O)NCCCn1cccnc1=O.
What is the InChIKey of N-[3-(2-oxopyrimidin-1-yl)propyl]prop-2-enamide?
The InChIKey is KSIRHFILCBYXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-2-9(14)11-5-3-7-13-8-4-6-12-10(13)15/h2,4,6,8H,1,3,5,7H2,(H,11,14).
What are the key properties of N-[3-(2-oxopyrimidin-1-yl)propyl]prop-2-enamide?
N-[3-(2-oxopyrimidin-1-yl)propyl]prop-2-enamide has a molecular weight of 207.23 g/mol, XLogP of -0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopyrimidin-1-yl)propyl]prop-2-enamide is sourced from PubChem (CID 146106037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).