4-tricyclo[5.2.1.02,6]decanylmethyl 3-aminoprop-2-enoate

C14H21NO2 — CID 118198749

IUPAC4-tricyclo[5.2.1.02,6]decanylmethyl 3-aminoprop-2-enoate
SMILESNC=CC(=O)OCC1CC2C3CCC(C3)C2C1
InChIInChI=1S/C14H21NO2/c15-4-3-14(16)17-8-9-5-12-10-1-2-11(7-10)13(12)6-9/h3-4,9-13H,1-2,5-8,15H2
InChIKeyGAZWNVOUKCTIHE-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.07
Rot. Bonds3

About 4-tricyclo[5.2.1.02,6]decanylmethyl 3-aminoprop-2-enoate

4-tricyclo[5.2.1.02,6]decanylmethyl 3-aminoprop-2-enoate (PubChem CID 118198749) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-tricyclo[5.2.1.02,6]decanylmethyl 3-aminoprop-2-enoate.

Molecular Properties

Compound Name4-tricyclo[5.2.1.02,6]decanylmethyl 3-aminoprop-2-enoate
PubChem CID118198749
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-tricyclo[5.2.1.02,6]decanylmethyl 3-aminoprop-2-enoate
SMILESNC=CC(=O)OCC1CC2C3CCC(C3)C2C1
InChIInChI=1S/C14H21NO2/c15-4-3-14(16)17-8-9-5-12-10-1-2-11(7-10)13(12)6-9/h3-4,9-13H,1-2,5-8,15H2
InChIKeyGAZWNVOUKCTIHE-UHFFFAOYSA-N
XLogP2.07
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-tricyclo[5.2.1.02,6]decanylmethyl 3-aminoprop-2-enoate?
The IUPAC name of 4-tricyclo[5.2.1.02,6]decanylmethyl 3-aminoprop-2-enoate (CID 118198749) is 4-tricyclo[5.2.1.02,6]decanylmethyl 3-aminoprop-2-enoate.
What is the SMILES notation for 4-tricyclo[5.2.1.02,6]decanylmethyl 3-aminoprop-2-enoate?
The canonical SMILES for 4-tricyclo[5.2.1.02,6]decanylmethyl 3-aminoprop-2-enoate is NC=CC(=O)OCC1CC2C3CCC(C3)C2C1.
What is the InChIKey of 4-tricyclo[5.2.1.02,6]decanylmethyl 3-aminoprop-2-enoate?
The InChIKey is GAZWNVOUKCTIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c15-4-3-14(16)17-8-9-5-12-10-1-2-11(7-10)13(12)6-9/h3-4,9-13H,1-2,5-8,15H2.
What are the key properties of 4-tricyclo[5.2.1.02,6]decanylmethyl 3-aminoprop-2-enoate?
4-tricyclo[5.2.1.02,6]decanylmethyl 3-aminoprop-2-enoate has a molecular weight of 235.33 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tricyclo[5.2.1.02,6]decanylmethyl 3-aminoprop-2-enoate is sourced from PubChem (CID 118198749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).