N-[(1S,3S,5R)-3-bicyclo[3.3.1]non-6-enyl]acetamide

C11H17NO — CID 131880390

IUPACN-[(1S,3S,5R)-3-bicyclo[3.3.1]non-6-enyl]acetamide
SMILESCC(=O)N[C@@H]1C[C@@H]2C=CC[C@@H](C2)C1
InChIInChI=1S/C11H17NO/c1-8(13)12-11-6-9-3-2-4-10(5-9)7-11/h2-3,9-11H,4-7H2,1H3,(H,12,13)/t9-,10+,11-/m1/s1
InChIKeyNCAHZJGLRPWQGY-OUAUKWLOSA-N
MW179.26 g/mol
LogP1.87
Rot. Bonds1

About N-[(1S,3S,5R)-3-bicyclo[3.3.1]non-6-enyl]acetamide

N-[(1S,3S,5R)-3-bicyclo[3.3.1]non-6-enyl]acetamide (PubChem CID 131880390) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N-[(1S,3S,5R)-3-bicyclo[3.3.1]non-6-enyl]acetamide.

Molecular Properties

Compound NameN-[(1S,3S,5R)-3-bicyclo[3.3.1]non-6-enyl]acetamide
PubChem CID131880390
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN-[(1S,3S,5R)-3-bicyclo[3.3.1]non-6-enyl]acetamide
SMILESCC(=O)N[C@@H]1C[C@@H]2C=CC[C@@H](C2)C1
InChIInChI=1S/C11H17NO/c1-8(13)12-11-6-9-3-2-4-10(5-9)7-11/h2-3,9-11H,4-7H2,1H3,(H,12,13)/t9-,10+,11-/m1/s1
InChIKeyNCAHZJGLRPWQGY-OUAUKWLOSA-N
XLogP1.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.87
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-[(1S,3S,5R)-3-bicyclo[3.3.1]non-6-enyl]acetamide?
The IUPAC name of N-[(1S,3S,5R)-3-bicyclo[3.3.1]non-6-enyl]acetamide (CID 131880390) is N-[(1S,3S,5R)-3-bicyclo[3.3.1]non-6-enyl]acetamide.
What is the SMILES notation for N-[(1S,3S,5R)-3-bicyclo[3.3.1]non-6-enyl]acetamide?
The canonical SMILES for N-[(1S,3S,5R)-3-bicyclo[3.3.1]non-6-enyl]acetamide is CC(=O)N[C@@H]1C[C@@H]2C=CC[C@@H](C2)C1.
What is the InChIKey of N-[(1S,3S,5R)-3-bicyclo[3.3.1]non-6-enyl]acetamide?
The InChIKey is NCAHZJGLRPWQGY-OUAUKWLOSA-N. The full InChI is InChI=1S/C11H17NO/c1-8(13)12-11-6-9-3-2-4-10(5-9)7-11/h2-3,9-11H,4-7H2,1H3,(H,12,13)/t9-,10+,11-/m1/s1.
What are the key properties of N-[(1S,3S,5R)-3-bicyclo[3.3.1]non-6-enyl]acetamide?
N-[(1S,3S,5R)-3-bicyclo[3.3.1]non-6-enyl]acetamide has a molecular weight of 179.26 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S,5R)-3-bicyclo[3.3.1]non-6-enyl]acetamide is sourced from PubChem (CID 131880390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).