2-(1-bicyclo[2.2.1]hept-2-enyl)-N,N',N'-trimethylbutanediamide

C14H22N2O2 — CID 141218610

IUPAC2-(1-bicyclo[2.2.1]hept-2-enyl)-N,N',N'-trimethylbutanediamide
SMILESCNC(=O)C(CC(=O)N(C)C)C12C=CC(CC1)C2
InChIInChI=1S/C14H22N2O2/c1-15-13(18)11(8-12(17)16(2)3)14-6-4-10(9-14)5-7-14/h4,6,10-11H,5,7-9H2,1-3H3,(H,15,18)
InChIKeySQQMZCZLRQLBMN-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.18
Rot. Bonds4

About 2-(1-bicyclo[2.2.1]hept-2-enyl)-N,N',N'-trimethylbutanediamide

2-(1-bicyclo[2.2.1]hept-2-enyl)-N,N',N'-trimethylbutanediamide (PubChem CID 141218610) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(1-bicyclo[2.2.1]hept-2-enyl)-N,N',N'-trimethylbutanediamide.

Molecular Properties

Compound Name2-(1-bicyclo[2.2.1]hept-2-enyl)-N,N',N'-trimethylbutanediamide
PubChem CID141218610
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(1-bicyclo[2.2.1]hept-2-enyl)-N,N',N'-trimethylbutanediamide
SMILESCNC(=O)C(CC(=O)N(C)C)C12C=CC(CC1)C2
InChIInChI=1S/C14H22N2O2/c1-15-13(18)11(8-12(17)16(2)3)14-6-4-10(9-14)5-7-14/h4,6,10-11H,5,7-9H2,1-3H3,(H,15,18)
InChIKeySQQMZCZLRQLBMN-UHFFFAOYSA-N
XLogP1.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.18
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-(1-bicyclo[2.2.1]hept-2-enyl)-N,N',N'-trimethylbutanediamide?
The IUPAC name of 2-(1-bicyclo[2.2.1]hept-2-enyl)-N,N',N'-trimethylbutanediamide (CID 141218610) is 2-(1-bicyclo[2.2.1]hept-2-enyl)-N,N',N'-trimethylbutanediamide.
What is the SMILES notation for 2-(1-bicyclo[2.2.1]hept-2-enyl)-N,N',N'-trimethylbutanediamide?
The canonical SMILES for 2-(1-bicyclo[2.2.1]hept-2-enyl)-N,N',N'-trimethylbutanediamide is CNC(=O)C(CC(=O)N(C)C)C12C=CC(CC1)C2.
What is the InChIKey of 2-(1-bicyclo[2.2.1]hept-2-enyl)-N,N',N'-trimethylbutanediamide?
The InChIKey is SQQMZCZLRQLBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-15-13(18)11(8-12(17)16(2)3)14-6-4-10(9-14)5-7-14/h4,6,10-11H,5,7-9H2,1-3H3,(H,15,18).
What are the key properties of 2-(1-bicyclo[2.2.1]hept-2-enyl)-N,N',N'-trimethylbutanediamide?
2-(1-bicyclo[2.2.1]hept-2-enyl)-N,N',N'-trimethylbutanediamide has a molecular weight of 250.34 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bicyclo[2.2.1]hept-2-enyl)-N,N',N'-trimethylbutanediamide is sourced from PubChem (CID 141218610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).