1-cyclopropyl-2-pyrimidin-5-ylprop-2-en-1-one

C10H10N2O — CID 175919372

IUPAC1-cyclopropyl-2-pyrimidin-5-ylprop-2-en-1-one
SMILESC=C(C(=O)C1CC1)c1cncnc1
InChIInChI=1S/C10H10N2O/c1-7(10(13)8-2-3-8)9-4-11-6-12-5-9/h4-6,8H,1-3H2
InChIKeyVPTUVEDUBSVOQR-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.47
Rot. Bonds3

About 1-cyclopropyl-2-pyrimidin-5-ylprop-2-en-1-one

1-cyclopropyl-2-pyrimidin-5-ylprop-2-en-1-one (PubChem CID 175919372) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 1-cyclopropyl-2-pyrimidin-5-ylprop-2-en-1-one.

Molecular Properties

Compound Name1-cyclopropyl-2-pyrimidin-5-ylprop-2-en-1-one
PubChem CID175919372
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name1-cyclopropyl-2-pyrimidin-5-ylprop-2-en-1-one
SMILESC=C(C(=O)C1CC1)c1cncnc1
InChIInChI=1S/C10H10N2O/c1-7(10(13)8-2-3-8)9-4-11-6-12-5-9/h4-6,8H,1-3H2
InChIKeyVPTUVEDUBSVOQR-UHFFFAOYSA-N
XLogP1.47
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-pyrimidin-5-ylprop-2-en-1-one?
The IUPAC name of 1-cyclopropyl-2-pyrimidin-5-ylprop-2-en-1-one (CID 175919372) is 1-cyclopropyl-2-pyrimidin-5-ylprop-2-en-1-one.
What is the SMILES notation for 1-cyclopropyl-2-pyrimidin-5-ylprop-2-en-1-one?
The canonical SMILES for 1-cyclopropyl-2-pyrimidin-5-ylprop-2-en-1-one is C=C(C(=O)C1CC1)c1cncnc1.
What is the InChIKey of 1-cyclopropyl-2-pyrimidin-5-ylprop-2-en-1-one?
The InChIKey is VPTUVEDUBSVOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-7(10(13)8-2-3-8)9-4-11-6-12-5-9/h4-6,8H,1-3H2.
What are the key properties of 1-cyclopropyl-2-pyrimidin-5-ylprop-2-en-1-one?
1-cyclopropyl-2-pyrimidin-5-ylprop-2-en-1-one has a molecular weight of 174.20 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-pyrimidin-5-ylprop-2-en-1-one is sourced from PubChem (CID 175919372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).