N-(1-tricyclo[3.3.1.13,7]dec-3-enyl)acetamide

C12H17NO — CID 122498972

IUPACN-(1-tricyclo[3.3.1.13,7]dec-3-enyl)acetamide
SMILESCC(=O)NC12CC3=CC(CC(C3)C1)C2
InChIInChI=1S/C12H17NO/c1-8(14)13-12-5-9-2-10(6-12)4-11(3-9)7-12/h2,9,11H,3-7H2,1H3,(H,13,14)
InChIKeyLUODQZUQTBQPBB-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.01
Rot. Bonds1

About N-(1-tricyclo[3.3.1.13,7]dec-3-enyl)acetamide

N-(1-tricyclo[3.3.1.13,7]dec-3-enyl)acetamide (PubChem CID 122498972) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-(1-tricyclo[3.3.1.13,7]dec-3-enyl)acetamide.

Molecular Properties

Compound NameN-(1-tricyclo[3.3.1.13,7]dec-3-enyl)acetamide
PubChem CID122498972
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-(1-tricyclo[3.3.1.13,7]dec-3-enyl)acetamide
SMILESCC(=O)NC12CC3=CC(CC(C3)C1)C2
InChIInChI=1S/C12H17NO/c1-8(14)13-12-5-9-2-10(6-12)4-11(3-9)7-12/h2,9,11H,3-7H2,1H3,(H,13,14)
InChIKeyLUODQZUQTBQPBB-UHFFFAOYSA-N
XLogP2.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-(1-tricyclo[3.3.1.13,7]dec-3-enyl)acetamide?
The IUPAC name of N-(1-tricyclo[3.3.1.13,7]dec-3-enyl)acetamide (CID 122498972) is N-(1-tricyclo[3.3.1.13,7]dec-3-enyl)acetamide.
What is the SMILES notation for N-(1-tricyclo[3.3.1.13,7]dec-3-enyl)acetamide?
The canonical SMILES for N-(1-tricyclo[3.3.1.13,7]dec-3-enyl)acetamide is CC(=O)NC12CC3=CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-tricyclo[3.3.1.13,7]dec-3-enyl)acetamide?
The InChIKey is LUODQZUQTBQPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-8(14)13-12-5-9-2-10(6-12)4-11(3-9)7-12/h2,9,11H,3-7H2,1H3,(H,13,14).
What are the key properties of N-(1-tricyclo[3.3.1.13,7]dec-3-enyl)acetamide?
N-(1-tricyclo[3.3.1.13,7]dec-3-enyl)acetamide has a molecular weight of 191.27 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tricyclo[3.3.1.13,7]dec-3-enyl)acetamide is sourced from PubChem (CID 122498972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).