N-[(E)-2-(2-ethylcyclohex-3-en-1-yl)but-2-enyl]formamide

C13H21NO — CID 89097630

IUPACN-[(E)-2-(2-ethylcyclohex-3-en-1-yl)but-2-enyl]formamide
SMILESC/C=C(/CNC=O)C1CCC=CC1CC
InChIInChI=1S/C13H21NO/c1-3-11-7-5-6-8-13(11)12(4-2)9-14-10-15/h4-5,7,10-11,13H,3,6,8-9H2,1-2H3,(H,14,15)/b12-4-
InChIKeyMRLACEUKTTWARV-QCDXTXTGSA-N
MW207.32 g/mol
LogP2.67
Rot. Bonds5

About N-[(E)-2-(2-ethylcyclohex-3-en-1-yl)but-2-enyl]formamide

N-[(E)-2-(2-ethylcyclohex-3-en-1-yl)but-2-enyl]formamide (PubChem CID 89097630) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[(E)-2-(2-ethylcyclohex-3-en-1-yl)but-2-enyl]formamide.

Molecular Properties

Compound NameN-[(E)-2-(2-ethylcyclohex-3-en-1-yl)but-2-enyl]formamide
PubChem CID89097630
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-[(E)-2-(2-ethylcyclohex-3-en-1-yl)but-2-enyl]formamide
SMILESC/C=C(/CNC=O)C1CCC=CC1CC
InChIInChI=1S/C13H21NO/c1-3-11-7-5-6-8-13(11)12(4-2)9-14-10-15/h4-5,7,10-11,13H,3,6,8-9H2,1-2H3,(H,14,15)/b12-4-
InChIKeyMRLACEUKTTWARV-QCDXTXTGSA-N
XLogP2.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(2-ethylcyclohex-3-en-1-yl)but-2-enyl]formamide?
The IUPAC name of N-[(E)-2-(2-ethylcyclohex-3-en-1-yl)but-2-enyl]formamide (CID 89097630) is N-[(E)-2-(2-ethylcyclohex-3-en-1-yl)but-2-enyl]formamide.
What is the SMILES notation for N-[(E)-2-(2-ethylcyclohex-3-en-1-yl)but-2-enyl]formamide?
The canonical SMILES for N-[(E)-2-(2-ethylcyclohex-3-en-1-yl)but-2-enyl]formamide is C/C=C(/CNC=O)C1CCC=CC1CC.
What is the InChIKey of N-[(E)-2-(2-ethylcyclohex-3-en-1-yl)but-2-enyl]formamide?
The InChIKey is MRLACEUKTTWARV-QCDXTXTGSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-11-7-5-6-8-13(11)12(4-2)9-14-10-15/h4-5,7,10-11,13H,3,6,8-9H2,1-2H3,(H,14,15)/b12-4-.
What are the key properties of N-[(E)-2-(2-ethylcyclohex-3-en-1-yl)but-2-enyl]formamide?
N-[(E)-2-(2-ethylcyclohex-3-en-1-yl)but-2-enyl]formamide has a molecular weight of 207.32 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(2-ethylcyclohex-3-en-1-yl)but-2-enyl]formamide is sourced from PubChem (CID 89097630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).