3-(2-aminooxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one

C9H13N3O2 — CID 130963988

IUPAC3-(2-aminooxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
SMILESNOCCn1cnc2c(c1=O)CCC2
InChIInChI=1S/C9H13N3O2/c10-14-5-4-12-6-11-8-3-1-2-7(8)9(12)13/h6H,1-5,10H2
InChIKeyOORUYDXOZIQNAD-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.38
Rot. Bonds3

About 3-(2-aminooxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one

3-(2-aminooxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one (PubChem CID 130963988) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-(2-aminooxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-aminooxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
PubChem CID130963988
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name3-(2-aminooxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
SMILESNOCCn1cnc2c(c1=O)CCC2
InChIInChI=1S/C9H13N3O2/c10-14-5-4-12-6-11-8-3-1-2-7(8)9(12)13/h6H,1-5,10H2
InChIKeyOORUYDXOZIQNAD-UHFFFAOYSA-N
XLogP-0.38
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)propanamide
CID 132306525
3-(3-fluoro-2-hydroxypropyl)-3H,4H,5H,6H,7H-cyclopenta[d]pyrimidin-4-one
CID 165786912
3-(2-Hydroxyethyl)-5,6,7,8-tetrahydroquinazolin-4-one
CID 54589506
2-(4-Oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-3-yl)acetic acid
CID 71563741
3-(3-aminopropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 82105228
3-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 99824666
3-(methoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 130605363
3-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 130622029
3-prop-2-enyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 130657509
3-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 130710730
2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetonitrile
CID 130744034
methyl 2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetate
CID 130815803

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminooxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The IUPAC name of 3-(2-aminooxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one (CID 130963988) is 3-(2-aminooxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 3-(2-aminooxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 3-(2-aminooxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one is NOCCn1cnc2c(c1=O)CCC2.
What is the InChIKey of 3-(2-aminooxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The InChIKey is OORUYDXOZIQNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c10-14-5-4-12-6-11-8-3-1-2-7(8)9(12)13/h6H,1-5,10H2.
What are the key properties of 3-(2-aminooxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
3-(2-aminooxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one has a molecular weight of 195.22 g/mol, XLogP of -0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminooxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 130963988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).