N-[[(1S)-2-cyclohex-3-en-1-ylcyclopropyl]methyl]-N-propylacetamide

C15H25NO — CID 70997474

IUPACN-[[(1S)-2-cyclohex-3-en-1-ylcyclopropyl]methyl]-N-propylacetamide
SMILESCCCN(C[C@H]1CC1C1CC=CCC1)C(C)=O
InChIInChI=1S/C15H25NO/c1-3-9-16(12(2)17)11-14-10-15(14)13-7-5-4-6-8-13/h4-5,13-15H,3,6-11H2,1-2H3/t13?,14-,15?/m1/s1
InChIKeyOECXBYWWSHFDJA-SHARSMKWSA-N
MW235.37 g/mol
LogP3.24
Rot. Bonds5

About N-[[(1S)-2-cyclohex-3-en-1-ylcyclopropyl]methyl]-N-propylacetamide

N-[[(1S)-2-cyclohex-3-en-1-ylcyclopropyl]methyl]-N-propylacetamide (PubChem CID 70997474) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[[(1S)-2-cyclohex-3-en-1-ylcyclopropyl]methyl]-N-propylacetamide.

Molecular Properties

Compound NameN-[[(1S)-2-cyclohex-3-en-1-ylcyclopropyl]methyl]-N-propylacetamide
PubChem CID70997474
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-[[(1S)-2-cyclohex-3-en-1-ylcyclopropyl]methyl]-N-propylacetamide
SMILESCCCN(C[C@H]1CC1C1CC=CCC1)C(C)=O
InChIInChI=1S/C15H25NO/c1-3-9-16(12(2)17)11-14-10-15(14)13-7-5-4-6-8-13/h4-5,13-15H,3,6-11H2,1-2H3/t13?,14-,15?/m1/s1
InChIKeyOECXBYWWSHFDJA-SHARSMKWSA-N
XLogP3.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
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 N-[[(1S)-2-cyclohex-3-en-1-ylcyclopropyl]methyl]-N-propylacetamide?
The IUPAC name of N-[[(1S)-2-cyclohex-3-en-1-ylcyclopropyl]methyl]-N-propylacetamide (CID 70997474) is N-[[(1S)-2-cyclohex-3-en-1-ylcyclopropyl]methyl]-N-propylacetamide.
What is the SMILES notation for N-[[(1S)-2-cyclohex-3-en-1-ylcyclopropyl]methyl]-N-propylacetamide?
The canonical SMILES for N-[[(1S)-2-cyclohex-3-en-1-ylcyclopropyl]methyl]-N-propylacetamide is CCCN(C[C@H]1CC1C1CC=CCC1)C(C)=O.
What is the InChIKey of N-[[(1S)-2-cyclohex-3-en-1-ylcyclopropyl]methyl]-N-propylacetamide?
The InChIKey is OECXBYWWSHFDJA-SHARSMKWSA-N. The full InChI is InChI=1S/C15H25NO/c1-3-9-16(12(2)17)11-14-10-15(14)13-7-5-4-6-8-13/h4-5,13-15H,3,6-11H2,1-2H3/t13?,14-,15?/m1/s1.
What are the key properties of N-[[(1S)-2-cyclohex-3-en-1-ylcyclopropyl]methyl]-N-propylacetamide?
N-[[(1S)-2-cyclohex-3-en-1-ylcyclopropyl]methyl]-N-propylacetamide has a molecular weight of 235.37 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 N-[[(1S)-2-cyclohex-3-en-1-ylcyclopropyl]methyl]-N-propylacetamide is sourced from PubChem (CID 70997474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).