methyl 2-prop-1-enyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylate

C12H14N2O2 — CID 123601487

IUPACmethyl 2-prop-1-enyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylate
SMILESCC=Cc1nc2c(c(C(=O)OC)n1)CCC2
InChIInChI=1S/C12H14N2O2/c1-3-5-10-13-9-7-4-6-8(9)11(14-10)12(15)16-2/h3,5H,4,6-7H2,1-2H3
InChIKeyRHNQKYMCNQDLEJ-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.78
Rot. Bonds2

About methyl 2-prop-1-enyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylate

methyl 2-prop-1-enyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylate (PubChem CID 123601487) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is methyl 2-prop-1-enyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-prop-1-enyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylate
PubChem CID123601487
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Namemethyl 2-prop-1-enyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylate
SMILESCC=Cc1nc2c(c(C(=O)OC)n1)CCC2
InChIInChI=1S/C12H14N2O2/c1-3-5-10-13-9-7-4-6-8(9)11(14-10)12(15)16-2/h3,5H,4,6-7H2,1-2H3
InChIKeyRHNQKYMCNQDLEJ-UHFFFAOYSA-N
XLogP1.78
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-prop-1-enyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylate?
The IUPAC name of methyl 2-prop-1-enyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylate (CID 123601487) is methyl 2-prop-1-enyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 2-prop-1-enyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylate?
The canonical SMILES for methyl 2-prop-1-enyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylate is CC=Cc1nc2c(c(C(=O)OC)n1)CCC2.
What is the InChIKey of methyl 2-prop-1-enyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylate?
The InChIKey is RHNQKYMCNQDLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-3-5-10-13-9-7-4-6-8(9)11(14-10)12(15)16-2/h3,5H,4,6-7H2,1-2H3.
What are the key properties of methyl 2-prop-1-enyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylate?
methyl 2-prop-1-enyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylate has a molecular weight of 218.26 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-prop-1-enyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylate is sourced from PubChem (CID 123601487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).