1-prop-2-enoyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-4-one

C10H14N2O2 — CID 136572515

IUPAC1-prop-2-enoyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-4-one
SMILESC=CC(=O)N1CCC(=O)N2CCCC12
InChIInChI=1S/C10H14N2O2/c1-2-9(13)12-7-5-10(14)11-6-3-4-8(11)12/h2,8H,1,3-7H2
InChIKeySDDAFTUEQWOTQT-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.35
Rot. Bonds1

About 1-prop-2-enoyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-4-one

1-prop-2-enoyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-4-one (PubChem CID 136572515) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-prop-2-enoyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name1-prop-2-enoyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-4-one
PubChem CID136572515
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-prop-2-enoyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-4-one
SMILESC=CC(=O)N1CCC(=O)N2CCCC12
InChIInChI=1S/C10H14N2O2/c1-2-9(13)12-7-5-10(14)11-6-3-4-8(11)12/h2,8H,1,3-7H2
InChIKeySDDAFTUEQWOTQT-UHFFFAOYSA-N
XLogP0.35
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-prop-2-enoyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-4-one?
The IUPAC name of 1-prop-2-enoyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-4-one (CID 136572515) is 1-prop-2-enoyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 1-prop-2-enoyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-4-one?
The canonical SMILES for 1-prop-2-enoyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-4-one is C=CC(=O)N1CCC(=O)N2CCCC12.
What is the InChIKey of 1-prop-2-enoyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-4-one?
The InChIKey is SDDAFTUEQWOTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-2-9(13)12-7-5-10(14)11-6-3-4-8(11)12/h2,8H,1,3-7H2.
What are the key properties of 1-prop-2-enoyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-4-one?
1-prop-2-enoyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-4-one has a molecular weight of 194.23 g/mol, XLogP of 0.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 136572515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).