N-prop-2-enyl-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide

C15H22N2O3 — CID 19241266

IUPACN-prop-2-enyl-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide
SMILESC=CCNC(=O)CN1C(=O)C2CCC(C)(C1=O)C2(C)C
InChIInChI=1S/C15H22N2O3/c1-5-8-16-11(18)9-17-12(19)10-6-7-15(4,13(17)20)14(10,2)3/h5,10H,1,6-9H2,2-4H3,(H,16,18)
InChIKeyLKAGORJWBIDLKA-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.10
Rot. Bonds4

About N-prop-2-enyl-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide

N-prop-2-enyl-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide (PubChem CID 19241266) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-prop-2-enyl-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide.

Molecular Properties

Compound NameN-prop-2-enyl-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide
PubChem CID19241266
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-prop-2-enyl-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide
SMILESC=CCNC(=O)CN1C(=O)C2CCC(C)(C1=O)C2(C)C
InChIInChI=1S/C15H22N2O3/c1-5-8-16-11(18)9-17-12(19)10-6-7-15(4,13(17)20)14(10,2)3/h5,10H,1,6-9H2,2-4H3,(H,16,18)
InChIKeyLKAGORJWBIDLKA-UHFFFAOYSA-N
XLogP1.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide?
The IUPAC name of N-prop-2-enyl-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide (CID 19241266) is N-prop-2-enyl-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide.
What is the SMILES notation for N-prop-2-enyl-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide?
The canonical SMILES for N-prop-2-enyl-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide is C=CCNC(=O)CN1C(=O)C2CCC(C)(C1=O)C2(C)C.
What is the InChIKey of N-prop-2-enyl-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide?
The InChIKey is LKAGORJWBIDLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-5-8-16-11(18)9-17-12(19)10-6-7-15(4,13(17)20)14(10,2)3/h5,10H,1,6-9H2,2-4H3,(H,16,18).
What are the key properties of N-prop-2-enyl-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide?
N-prop-2-enyl-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide has a molecular weight of 278.35 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide is sourced from PubChem (CID 19241266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).