2-amino-2-(1-tricyclo[3.3.1.13,7]dec-3-enyl)acetaldehyde

C12H17NO — CID 88992252

IUPAC2-amino-2-(1-tricyclo[3.3.1.13,7]dec-3-enyl)acetaldehyde
SMILESNC(C=O)C12CC3=CC(CC(C3)C1)C2
InChIInChI=1S/C12H17NO/c13-11(7-14)12-4-8-1-9(5-12)3-10(2-8)6-12/h1,7-8,10-11H,2-6,13H2
InChIKeyVTLPZGIIIPLPKP-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.65
Rot. Bonds2

About 2-amino-2-(1-tricyclo[3.3.1.13,7]dec-3-enyl)acetaldehyde

2-amino-2-(1-tricyclo[3.3.1.13,7]dec-3-enyl)acetaldehyde (PubChem CID 88992252) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-amino-2-(1-tricyclo[3.3.1.13,7]dec-3-enyl)acetaldehyde.

Molecular Properties

Compound Name2-amino-2-(1-tricyclo[3.3.1.13,7]dec-3-enyl)acetaldehyde
PubChem CID88992252
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-amino-2-(1-tricyclo[3.3.1.13,7]dec-3-enyl)acetaldehyde
SMILESNC(C=O)C12CC3=CC(CC(C3)C1)C2
InChIInChI=1S/C12H17NO/c13-11(7-14)12-4-8-1-9(5-12)3-10(2-8)6-12/h1,7-8,10-11H,2-6,13H2
InChIKeyVTLPZGIIIPLPKP-UHFFFAOYSA-N
XLogP1.65
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.65
H-Bond Donors ≤ 51
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 2-amino-2-(1-tricyclo[3.3.1.13,7]dec-3-enyl)acetaldehyde?
The IUPAC name of 2-amino-2-(1-tricyclo[3.3.1.13,7]dec-3-enyl)acetaldehyde (CID 88992252) is 2-amino-2-(1-tricyclo[3.3.1.13,7]dec-3-enyl)acetaldehyde.
What is the SMILES notation for 2-amino-2-(1-tricyclo[3.3.1.13,7]dec-3-enyl)acetaldehyde?
The canonical SMILES for 2-amino-2-(1-tricyclo[3.3.1.13,7]dec-3-enyl)acetaldehyde is NC(C=O)C12CC3=CC(CC(C3)C1)C2.
What is the InChIKey of 2-amino-2-(1-tricyclo[3.3.1.13,7]dec-3-enyl)acetaldehyde?
The InChIKey is VTLPZGIIIPLPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c13-11(7-14)12-4-8-1-9(5-12)3-10(2-8)6-12/h1,7-8,10-11H,2-6,13H2.
What are the key properties of 2-amino-2-(1-tricyclo[3.3.1.13,7]dec-3-enyl)acetaldehyde?
2-amino-2-(1-tricyclo[3.3.1.13,7]dec-3-enyl)acetaldehyde has a molecular weight of 191.27 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1-tricyclo[3.3.1.13,7]dec-3-enyl)acetaldehyde is sourced from PubChem (CID 88992252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).