N-[[1-(2-cyclohexylideneethyl)pyrrolidin-2-yl]methyl]acetamide

C15H26N2O — CID 3024074

IUPACN-[[1-(2-cyclohexylideneethyl)pyrrolidin-2-yl]methyl]acetamide
SMILESCC(=O)NCC1CCCN1CC=C1CCCCC1
InChIInChI=1S/C15H26N2O/c1-13(18)16-12-15-8-5-10-17(15)11-9-14-6-3-2-4-7-14/h9,15H,2-8,10-12H2,1H3,(H,16,18)
InChIKeyUUHGJCCGHYMHLO-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.48
Rot. Bonds4

About N-[[1-(2-cyclohexylideneethyl)pyrrolidin-2-yl]methyl]acetamide

N-[[1-(2-cyclohexylideneethyl)pyrrolidin-2-yl]methyl]acetamide (PubChem CID 3024074) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[[1-(2-cyclohexylideneethyl)pyrrolidin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(2-cyclohexylideneethyl)pyrrolidin-2-yl]methyl]acetamide
PubChem CID3024074
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-[[1-(2-cyclohexylideneethyl)pyrrolidin-2-yl]methyl]acetamide
SMILESCC(=O)NCC1CCCN1CC=C1CCCCC1
InChIInChI=1S/C15H26N2O/c1-13(18)16-12-15-8-5-10-17(15)11-9-14-6-3-2-4-7-14/h9,15H,2-8,10-12H2,1H3,(H,16,18)
InChIKeyUUHGJCCGHYMHLO-UHFFFAOYSA-N
XLogP2.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2-cyclohexylideneethyl)pyrrolidin-2-yl]methyl]acetamide?
The IUPAC name of N-[[1-(2-cyclohexylideneethyl)pyrrolidin-2-yl]methyl]acetamide (CID 3024074) is N-[[1-(2-cyclohexylideneethyl)pyrrolidin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(2-cyclohexylideneethyl)pyrrolidin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(2-cyclohexylideneethyl)pyrrolidin-2-yl]methyl]acetamide is CC(=O)NCC1CCCN1CC=C1CCCCC1.
What is the InChIKey of N-[[1-(2-cyclohexylideneethyl)pyrrolidin-2-yl]methyl]acetamide?
The InChIKey is UUHGJCCGHYMHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-13(18)16-12-15-8-5-10-17(15)11-9-14-6-3-2-4-7-14/h9,15H,2-8,10-12H2,1H3,(H,16,18).
What are the key properties of N-[[1-(2-cyclohexylideneethyl)pyrrolidin-2-yl]methyl]acetamide?
N-[[1-(2-cyclohexylideneethyl)pyrrolidin-2-yl]methyl]acetamide has a molecular weight of 250.39 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-cyclohexylideneethyl)pyrrolidin-2-yl]methyl]acetamide is sourced from PubChem (CID 3024074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).