N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]acetamide

C13H23NO — CID 11644160

IUPACN-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]acetamide
SMILESCC(=O)NCC1CC1(C)CCC=C(C)C
InChIInChI=1S/C13H23NO/c1-10(2)6-5-7-13(4)8-12(13)9-14-11(3)15/h6,12H,5,7-9H2,1-4H3,(H,14,15)
InChIKeyZTJZLMSYIOTRTE-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.90
Rot. Bonds5

About N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]acetamide

N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]acetamide (PubChem CID 11644160) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]acetamide
PubChem CID11644160
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]acetamide
SMILESCC(=O)NCC1CC1(C)CCC=C(C)C
InChIInChI=1S/C13H23NO/c1-10(2)6-5-7-13(4)8-12(13)9-14-11(3)15/h6,12H,5,7-9H2,1-4H3,(H,14,15)
InChIKeyZTJZLMSYIOTRTE-UHFFFAOYSA-N
XLogP2.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.90
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-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]acetamide?
The IUPAC name of N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]acetamide (CID 11644160) is N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]acetamide.
What is the SMILES notation for N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]acetamide?
The canonical SMILES for N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]acetamide is CC(=O)NCC1CC1(C)CCC=C(C)C.
What is the InChIKey of N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]acetamide?
The InChIKey is ZTJZLMSYIOTRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-10(2)6-5-7-13(4)8-12(13)9-14-11(3)15/h6,12H,5,7-9H2,1-4H3,(H,14,15).
What are the key properties of N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]acetamide?
N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]acetamide has a molecular weight of 209.33 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]acetamide is sourced from PubChem (CID 11644160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).