3-amino-N-prop-2-enyloxolane-3-carboxamide

C8H14N2O2 — CID 64893101

IUPAC3-amino-N-prop-2-enyloxolane-3-carboxamide
SMILESC=CCNC(=O)C1(N)CCOC1
InChIInChI=1S/C8H14N2O2/c1-2-4-10-7(11)8(9)3-5-12-6-8/h2H,1,3-6,9H2,(H,10,11)
InChIKeyACCQGRMMMHZWCP-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.59
Rot. Bonds3

About 3-amino-N-prop-2-enyloxolane-3-carboxamide

3-amino-N-prop-2-enyloxolane-3-carboxamide (PubChem CID 64893101) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 3-amino-N-prop-2-enyloxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-prop-2-enyloxolane-3-carboxamide
PubChem CID64893101
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name3-amino-N-prop-2-enyloxolane-3-carboxamide
SMILESC=CCNC(=O)C1(N)CCOC1
InChIInChI=1S/C8H14N2O2/c1-2-4-10-7(11)8(9)3-5-12-6-8/h2H,1,3-6,9H2,(H,10,11)
InChIKeyACCQGRMMMHZWCP-UHFFFAOYSA-N
XLogP-0.59
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 3-amino-N-prop-2-enyloxolane-3-carboxamide?
The IUPAC name of 3-amino-N-prop-2-enyloxolane-3-carboxamide (CID 64893101) is 3-amino-N-prop-2-enyloxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-prop-2-enyloxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-prop-2-enyloxolane-3-carboxamide is C=CCNC(=O)C1(N)CCOC1.
What is the InChIKey of 3-amino-N-prop-2-enyloxolane-3-carboxamide?
The InChIKey is ACCQGRMMMHZWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-2-4-10-7(11)8(9)3-5-12-6-8/h2H,1,3-6,9H2,(H,10,11).
What are the key properties of 3-amino-N-prop-2-enyloxolane-3-carboxamide?
3-amino-N-prop-2-enyloxolane-3-carboxamide has a molecular weight of 170.21 g/mol, XLogP of -0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-prop-2-enyloxolane-3-carboxamide is sourced from PubChem (CID 64893101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).