N-prop-2-enyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide

C10H13N3O2 — CID 90537052

IUPACN-prop-2-enyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
SMILESC=CCNC(=O)c1cnn2c1OCCC2
InChIInChI=1S/C10H13N3O2/c1-2-4-11-9(14)8-7-12-13-5-3-6-15-10(8)13/h2,7H,1,3-6H2,(H,11,14)
InChIKeyKUVAOACYGQTPNJ-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.58
Rot. Bonds3

About N-prop-2-enyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide

N-prop-2-enyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (PubChem CID 90537052) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is N-prop-2-enyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.

Molecular Properties

Compound NameN-prop-2-enyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
PubChem CID90537052
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC NameN-prop-2-enyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
SMILESC=CCNC(=O)c1cnn2c1OCCC2
InChIInChI=1S/C10H13N3O2/c1-2-4-11-9(14)8-7-12-13-5-3-6-15-10(8)13/h2,7H,1,3-6H2,(H,11,14)
InChIKeyKUVAOACYGQTPNJ-UHFFFAOYSA-N
XLogP0.58
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The IUPAC name of N-prop-2-enyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (CID 90537052) is N-prop-2-enyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.
What is the SMILES notation for N-prop-2-enyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The canonical SMILES for N-prop-2-enyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is C=CCNC(=O)c1cnn2c1OCCC2.
What is the InChIKey of N-prop-2-enyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The InChIKey is KUVAOACYGQTPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-2-4-11-9(14)8-7-12-13-5-3-6-15-10(8)13/h2,7H,1,3-6H2,(H,11,14).
What are the key properties of N-prop-2-enyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
N-prop-2-enyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide has a molecular weight of 207.23 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is sourced from PubChem (CID 90537052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).