(E)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-phenylprop-2-enamide

C16H15N3O — CID 16953465

IUPAC(E)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1ncnc2c1CCC2
InChIInChI=1S/C16H15N3O/c20-15(10-9-12-5-2-1-3-6-12)19-16-13-7-4-8-14(13)17-11-18-16/h1-3,5-6,9-11H,4,7-8H2,(H,17,18,19,20)/b10-9+
InChIKeyIMONTPGSMRBMOM-MDZDMXLPSA-N
MW265.32 g/mol
LogP2.62
Rot. Bonds3

About (E)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-phenylprop-2-enamide

(E)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-phenylprop-2-enamide (PubChem CID 16953465) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is (E)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-phenylprop-2-enamide
PubChem CID16953465
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name(E)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1ncnc2c1CCC2
InChIInChI=1S/C16H15N3O/c20-15(10-9-12-5-2-1-3-6-12)19-16-13-7-4-8-14(13)17-11-18-16/h1-3,5-6,9-11H,4,7-8H2,(H,17,18,19,20)/b10-9+
InChIKeyIMONTPGSMRBMOM-MDZDMXLPSA-N
XLogP2.62
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
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 (E)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-phenylprop-2-enamide (CID 16953465) is (E)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)Nc1ncnc2c1CCC2.
What is the InChIKey of (E)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-phenylprop-2-enamide?
The InChIKey is IMONTPGSMRBMOM-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H15N3O/c20-15(10-9-12-5-2-1-3-6-12)19-16-13-7-4-8-14(13)17-11-18-16/h1-3,5-6,9-11H,4,7-8H2,(H,17,18,19,20)/b10-9+.
What are the key properties of (E)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-phenylprop-2-enamide?
(E)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-phenylprop-2-enamide has a molecular weight of 265.32 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-phenylprop-2-enamide is sourced from PubChem (CID 16953465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).