N,3-dimethylbicyclo[2.2.1]hept-5-ene-2-carboxamide

C10H15NO — CID 89110472

IUPACN,3-dimethylbicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCNC(=O)C1C2C=CC(C2)C1C
InChIInChI=1S/C10H15NO/c1-6-7-3-4-8(5-7)9(6)10(12)11-2/h3-4,6-9H,5H2,1-2H3,(H,11,12)
InChIKeyGTIGHOCIWSQNJA-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.19
Rot. Bonds1

About N,3-dimethylbicyclo[2.2.1]hept-5-ene-2-carboxamide

N,3-dimethylbicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 89110472) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is N,3-dimethylbicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound NameN,3-dimethylbicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID89110472
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC NameN,3-dimethylbicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCNC(=O)C1C2C=CC(C2)C1C
InChIInChI=1S/C10H15NO/c1-6-7-3-4-8(5-7)9(6)10(12)11-2/h3-4,6-9H,5H2,1-2H3,(H,11,12)
InChIKeyGTIGHOCIWSQNJA-UHFFFAOYSA-N
XLogP1.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

amino (1S,2S,3S,4R)-3-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 89472520
(1R,2R,3S,4S)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 102059311
1-[(3S)-3-acetyl-2-bicyclo[2.2.1]hept-5-enyl]ethanone
CID 130402735
1-[(2R,3R)-3-acetyl-2-bicyclo[2.2.1]hept-5-enyl]ethanone
CID 130765247
dimethyl (1R,2S,3S,4R)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 98044884
dimethyl (1S,4R)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 11020143
5,6-dimethylbicyclo[2.2.1]hept-2-ene;ethane
CID 90928180
dimethyl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate;methane
CID 159731557
3-[[2-(methylamino)-2-oxoethyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 43529038
Se-phenyl (1S,2S,3R,4R)-3-methylbicyclo[2.2.1]hept-5-ene-2-carboselenoate
CID 15424473
(2R,3R)-bicyclo[2.2.1]hept-5-ene-2,3-dicarbonyl chloride
CID 13163688
(1R,2R,3R,4S)-2-N,3-N-dipropylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
CID 131880221

Frequently Asked Questions

What is the IUPAC name of N,3-dimethylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of N,3-dimethylbicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 89110472) is N,3-dimethylbicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for N,3-dimethylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for N,3-dimethylbicyclo[2.2.1]hept-5-ene-2-carboxamide is CNC(=O)C1C2C=CC(C2)C1C.
What is the InChIKey of N,3-dimethylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is GTIGHOCIWSQNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-6-7-3-4-8(5-7)9(6)10(12)11-2/h3-4,6-9H,5H2,1-2H3,(H,11,12).
What are the key properties of N,3-dimethylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
N,3-dimethylbicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 165.24 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethylbicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 89110472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).