2-(6-bicyclo[3.2.0]hept-3-enylamino)-N,N-diethylpropanamide

C14H24N2O — CID 43789787

IUPAC2-(6-bicyclo[3.2.0]hept-3-enylamino)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)NC1CC2CC=CC21
InChIInChI=1S/C14H24N2O/c1-4-16(5-2)14(17)10(3)15-13-9-11-7-6-8-12(11)13/h6,8,10-13,15H,4-5,7,9H2,1-3H3
InChIKeyJYWJPCNUVCHUTP-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.80
Rot. Bonds5

About 2-(6-bicyclo[3.2.0]hept-3-enylamino)-N,N-diethylpropanamide

2-(6-bicyclo[3.2.0]hept-3-enylamino)-N,N-diethylpropanamide (PubChem CID 43789787) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-(6-bicyclo[3.2.0]hept-3-enylamino)-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-(6-bicyclo[3.2.0]hept-3-enylamino)-N,N-diethylpropanamide
PubChem CID43789787
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-(6-bicyclo[3.2.0]hept-3-enylamino)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)NC1CC2CC=CC21
InChIInChI=1S/C14H24N2O/c1-4-16(5-2)14(17)10(3)15-13-9-11-7-6-8-12(11)13/h6,8,10-13,15H,4-5,7,9H2,1-3H3
InChIKeyJYWJPCNUVCHUTP-UHFFFAOYSA-N
XLogP1.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.80
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 2-(6-bicyclo[3.2.0]hept-3-enylamino)-N,N-diethylpropanamide?
The IUPAC name of 2-(6-bicyclo[3.2.0]hept-3-enylamino)-N,N-diethylpropanamide (CID 43789787) is 2-(6-bicyclo[3.2.0]hept-3-enylamino)-N,N-diethylpropanamide.
What is the SMILES notation for 2-(6-bicyclo[3.2.0]hept-3-enylamino)-N,N-diethylpropanamide?
The canonical SMILES for 2-(6-bicyclo[3.2.0]hept-3-enylamino)-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)NC1CC2CC=CC21.
What is the InChIKey of 2-(6-bicyclo[3.2.0]hept-3-enylamino)-N,N-diethylpropanamide?
The InChIKey is JYWJPCNUVCHUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-16(5-2)14(17)10(3)15-13-9-11-7-6-8-12(11)13/h6,8,10-13,15H,4-5,7,9H2,1-3H3.
What are the key properties of 2-(6-bicyclo[3.2.0]hept-3-enylamino)-N,N-diethylpropanamide?
2-(6-bicyclo[3.2.0]hept-3-enylamino)-N,N-diethylpropanamide has a molecular weight of 236.36 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bicyclo[3.2.0]hept-3-enylamino)-N,N-diethylpropanamide is sourced from PubChem (CID 43789787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).