methyl (1R,2R,9R,10S)-6-oxo-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxylate

C16H24N2O3 — CID 15939880

IUPACmethyl (1R,2R,9R,10S)-6-oxo-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxylate
SMILESC=CC[C@H]1[C@@H]2C[C@H](CN1C(=O)OC)[C@H]1CCCC(=O)N1C2
InChIInChI=1S/C16H24N2O3/c1-3-5-13-11-8-12(10-18(13)16(20)21-2)14-6-4-7-15(19)17(14)9-11/h3,11-14H,1,4-10H2,2H3/t11-,12-,13+,14-/m1/s1
InChIKeySNVJEHVKQNQUBG-YIYPIFLZSA-N
MW292.38 g/mol
LogP2.03
Rot. Bonds2

About methyl (1R,2R,9R,10S)-6-oxo-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxylate

methyl (1R,2R,9R,10S)-6-oxo-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxylate (PubChem CID 15939880) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is methyl (1R,2R,9R,10S)-6-oxo-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxylate.

Molecular Properties

Compound Namemethyl (1R,2R,9R,10S)-6-oxo-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxylate
PubChem CID15939880
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Namemethyl (1R,2R,9R,10S)-6-oxo-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxylate
SMILESC=CC[C@H]1[C@@H]2C[C@H](CN1C(=O)OC)[C@H]1CCCC(=O)N1C2
InChIInChI=1S/C16H24N2O3/c1-3-5-13-11-8-12(10-18(13)16(20)21-2)14-6-4-7-15(19)17(14)9-11/h3,11-14H,1,4-10H2,2H3/t11-,12-,13+,14-/m1/s1
InChIKeySNVJEHVKQNQUBG-YIYPIFLZSA-N
XLogP2.03
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.03
H-Bond Donors ≤ 50
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 methyl (1R,2R,9R,10S)-6-oxo-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxylate?
The IUPAC name of methyl (1R,2R,9R,10S)-6-oxo-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxylate (CID 15939880) is methyl (1R,2R,9R,10S)-6-oxo-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxylate.
What is the SMILES notation for methyl (1R,2R,9R,10S)-6-oxo-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxylate?
The canonical SMILES for methyl (1R,2R,9R,10S)-6-oxo-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxylate is C=CC[C@H]1[C@@H]2C[C@H](CN1C(=O)OC)[C@H]1CCCC(=O)N1C2.
What is the InChIKey of methyl (1R,2R,9R,10S)-6-oxo-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxylate?
The InChIKey is SNVJEHVKQNQUBG-YIYPIFLZSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-5-13-11-8-12(10-18(13)16(20)21-2)14-6-4-7-15(19)17(14)9-11/h3,11-14H,1,4-10H2,2H3/t11-,12-,13+,14-/m1/s1.
What are the key properties of methyl (1R,2R,9R,10S)-6-oxo-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxylate?
methyl (1R,2R,9R,10S)-6-oxo-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,2R,9R,10S)-6-oxo-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxylate is sourced from PubChem (CID 15939880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).