N-[(2Z)-3,7-dimethylocta-2,6-dienyl]cyclopropanecarboxamide

C14H23NO — CID 11665730

IUPACN-[(2Z)-3,7-dimethylocta-2,6-dienyl]cyclopropanecarboxamide
SMILESCC(C)=CCC/C(C)=C\CNC(=O)C1CC1
InChIInChI=1S/C14H23NO/c1-11(2)5-4-6-12(3)9-10-15-14(16)13-7-8-13/h5,9,13H,4,6-8,10H2,1-3H3,(H,15,16)/b12-9-
InChIKeyUKNMSFRSBQONET-XFXZXTDPSA-N
MW221.34 g/mol
LogP3.21
Rot. Bonds6

About N-[(2Z)-3,7-dimethylocta-2,6-dienyl]cyclopropanecarboxamide

N-[(2Z)-3,7-dimethylocta-2,6-dienyl]cyclopropanecarboxamide (PubChem CID 11665730) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-[(2Z)-3,7-dimethylocta-2,6-dienyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2Z)-3,7-dimethylocta-2,6-dienyl]cyclopropanecarboxamide
PubChem CID11665730
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-[(2Z)-3,7-dimethylocta-2,6-dienyl]cyclopropanecarboxamide
SMILESCC(C)=CCC/C(C)=C\CNC(=O)C1CC1
InChIInChI=1S/C14H23NO/c1-11(2)5-4-6-12(3)9-10-15-14(16)13-7-8-13/h5,9,13H,4,6-8,10H2,1-3H3,(H,15,16)/b12-9-
InChIKeyUKNMSFRSBQONET-XFXZXTDPSA-N
XLogP3.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.21
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-[(2Z)-3,7-dimethylocta-2,6-dienyl]cyclopropanecarboxamide?
The IUPAC name of N-[(2Z)-3,7-dimethylocta-2,6-dienyl]cyclopropanecarboxamide (CID 11665730) is N-[(2Z)-3,7-dimethylocta-2,6-dienyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2Z)-3,7-dimethylocta-2,6-dienyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2Z)-3,7-dimethylocta-2,6-dienyl]cyclopropanecarboxamide is CC(C)=CCC/C(C)=C\CNC(=O)C1CC1.
What is the InChIKey of N-[(2Z)-3,7-dimethylocta-2,6-dienyl]cyclopropanecarboxamide?
The InChIKey is UKNMSFRSBQONET-XFXZXTDPSA-N. The full InChI is InChI=1S/C14H23NO/c1-11(2)5-4-6-12(3)9-10-15-14(16)13-7-8-13/h5,9,13H,4,6-8,10H2,1-3H3,(H,15,16)/b12-9-.
What are the key properties of N-[(2Z)-3,7-dimethylocta-2,6-dienyl]cyclopropanecarboxamide?
N-[(2Z)-3,7-dimethylocta-2,6-dienyl]cyclopropanecarboxamide has a molecular weight of 221.34 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-3,7-dimethylocta-2,6-dienyl]cyclopropanecarboxamide is sourced from PubChem (CID 11665730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).