2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-(cyclopropylmethyl)-N-propan-2-ylacetamide

C16H25NO — CID 56751388

IUPAC2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-(cyclopropylmethyl)-N-propan-2-ylacetamide
SMILESCC(C)N(CC1CC1)C(=O)C[C@@H]1C[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C16H25NO/c1-11(2)17(10-12-3-4-12)16(18)9-15-8-13-5-6-14(15)7-13/h5-6,11-15H,3-4,7-10H2,1-2H3/t13-,14+,15+/m1/s1
InChIKeyREBQDQZZIRYLDD-ILXRZTDVSA-N
MW247.38 g/mol
LogP3.24
Rot. Bonds5

About 2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-(cyclopropylmethyl)-N-propan-2-ylacetamide

2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-(cyclopropylmethyl)-N-propan-2-ylacetamide (PubChem CID 56751388) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-(cyclopropylmethyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-(cyclopropylmethyl)-N-propan-2-ylacetamide
PubChem CID56751388
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-(cyclopropylmethyl)-N-propan-2-ylacetamide
SMILESCC(C)N(CC1CC1)C(=O)C[C@@H]1C[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C16H25NO/c1-11(2)17(10-12-3-4-12)16(18)9-15-8-13-5-6-14(15)7-13/h5-6,11-15H,3-4,7-10H2,1-2H3/t13-,14+,15+/m1/s1
InChIKeyREBQDQZZIRYLDD-ILXRZTDVSA-N
XLogP3.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.24
H-Bond Donors ≤ 50
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 2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-(cyclopropylmethyl)-N-propan-2-ylacetamide?
The IUPAC name of 2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-(cyclopropylmethyl)-N-propan-2-ylacetamide (CID 56751388) is 2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-(cyclopropylmethyl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-(cyclopropylmethyl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-(cyclopropylmethyl)-N-propan-2-ylacetamide is CC(C)N(CC1CC1)C(=O)C[C@@H]1C[C@@H]2C=C[C@H]1C2.
What is the InChIKey of 2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-(cyclopropylmethyl)-N-propan-2-ylacetamide?
The InChIKey is REBQDQZZIRYLDD-ILXRZTDVSA-N. The full InChI is InChI=1S/C16H25NO/c1-11(2)17(10-12-3-4-12)16(18)9-15-8-13-5-6-14(15)7-13/h5-6,11-15H,3-4,7-10H2,1-2H3/t13-,14+,15+/m1/s1.
What are the key properties of 2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-(cyclopropylmethyl)-N-propan-2-ylacetamide?
2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-(cyclopropylmethyl)-N-propan-2-ylacetamide has a molecular weight of 247.38 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-(cyclopropylmethyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 56751388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).