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

C15H22N2O2 — CID 15939879

IUPAC(1R,2R,9R,10S)-6-oxo-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbaldehyde
SMILESC=CC[C@H]1[C@@H]2C[C@H](CN1C=O)[C@H]1CCCC(=O)N1C2
InChIInChI=1S/C15H22N2O2/c1-2-4-13-12-7-11(8-16(13)10-18)14-5-3-6-15(19)17(14)9-12/h2,10-14H,1,3-9H2/t11-,12-,13+,14-/m1/s1
InChIKeyAIMUGKLZAXKNPD-YIYPIFLZSA-N
MW262.35 g/mol
LogP1.42
Rot. Bonds3

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

(1R,2R,9R,10S)-6-oxo-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbaldehyde (PubChem CID 15939879) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (1R,2R,9R,10S)-6-oxo-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbaldehyde.

Molecular Properties

Compound Name(1R,2R,9R,10S)-6-oxo-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbaldehyde
PubChem CID15939879
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(1R,2R,9R,10S)-6-oxo-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbaldehyde
SMILESC=CC[C@H]1[C@@H]2C[C@H](CN1C=O)[C@H]1CCCC(=O)N1C2
InChIInChI=1S/C15H22N2O2/c1-2-4-13-12-7-11(8-16(13)10-18)14-5-3-6-15(19)17(14)9-12/h2,10-14H,1,3-9H2/t11-,12-,13+,14-/m1/s1
InChIKeyAIMUGKLZAXKNPD-YIYPIFLZSA-N
XLogP1.42
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,9R,10S)-6-oxo-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbaldehyde?
The IUPAC name of (1R,2R,9R,10S)-6-oxo-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbaldehyde (CID 15939879) is (1R,2R,9R,10S)-6-oxo-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbaldehyde.
What is the SMILES notation for (1R,2R,9R,10S)-6-oxo-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbaldehyde?
The canonical SMILES for (1R,2R,9R,10S)-6-oxo-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbaldehyde is C=CC[C@H]1[C@@H]2C[C@H](CN1C=O)[C@H]1CCCC(=O)N1C2.
What is the InChIKey of (1R,2R,9R,10S)-6-oxo-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbaldehyde?
The InChIKey is AIMUGKLZAXKNPD-YIYPIFLZSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-4-13-12-7-11(8-16(13)10-18)14-5-3-6-15(19)17(14)9-12/h2,10-14H,1,3-9H2/t11-,12-,13+,14-/m1/s1.
What are the key properties of (1R,2R,9R,10S)-6-oxo-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbaldehyde?
(1R,2R,9R,10S)-6-oxo-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbaldehyde has a molecular weight of 262.35 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,9R,10S)-6-oxo-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbaldehyde is sourced from PubChem (CID 15939879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).