N,N-diethyltricyclo[5.2.1.02,6]dec-3-ene-4-carboxamide

C15H23NO — CID 595222

IUPACN,N-diethyltricyclo[5.2.1.02,6]dec-3-ene-4-carboxamide
SMILESCCN(CC)C(=O)C1=CC2C3CCC(C3)C2C1
InChIInChI=1S/C15H23NO/c1-3-16(4-2)15(17)12-8-13-10-5-6-11(7-10)14(13)9-12/h8,10-11,13-14H,3-7,9H2,1-2H3
InChIKeyVXDLDCAHKNCMSH-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.85
Rot. Bonds3

About N,N-diethyltricyclo[5.2.1.02,6]dec-3-ene-4-carboxamide

N,N-diethyltricyclo[5.2.1.02,6]dec-3-ene-4-carboxamide (PubChem CID 595222) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N,N-diethyltricyclo[5.2.1.02,6]dec-3-ene-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyltricyclo[5.2.1.02,6]dec-3-ene-4-carboxamide
PubChem CID595222
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN,N-diethyltricyclo[5.2.1.02,6]dec-3-ene-4-carboxamide
SMILESCCN(CC)C(=O)C1=CC2C3CCC(C3)C2C1
InChIInChI=1S/C15H23NO/c1-3-16(4-2)15(17)12-8-13-10-5-6-11(7-10)14(13)9-12/h8,10-11,13-14H,3-7,9H2,1-2H3
InChIKeyVXDLDCAHKNCMSH-UHFFFAOYSA-N
XLogP2.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyltricyclo[5.2.1.02,6]dec-3-ene-4-carboxamide?
The IUPAC name of N,N-diethyltricyclo[5.2.1.02,6]dec-3-ene-4-carboxamide (CID 595222) is N,N-diethyltricyclo[5.2.1.02,6]dec-3-ene-4-carboxamide.
What is the SMILES notation for N,N-diethyltricyclo[5.2.1.02,6]dec-3-ene-4-carboxamide?
The canonical SMILES for N,N-diethyltricyclo[5.2.1.02,6]dec-3-ene-4-carboxamide is CCN(CC)C(=O)C1=CC2C3CCC(C3)C2C1.
What is the InChIKey of N,N-diethyltricyclo[5.2.1.02,6]dec-3-ene-4-carboxamide?
The InChIKey is VXDLDCAHKNCMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-16(4-2)15(17)12-8-13-10-5-6-11(7-10)14(13)9-12/h8,10-11,13-14H,3-7,9H2,1-2H3.
What are the key properties of N,N-diethyltricyclo[5.2.1.02,6]dec-3-ene-4-carboxamide?
N,N-diethyltricyclo[5.2.1.02,6]dec-3-ene-4-carboxamide has a molecular weight of 233.35 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyltricyclo[5.2.1.02,6]dec-3-ene-4-carboxamide is sourced from PubChem (CID 595222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).